8-methyl-8-azoniabicyclo[3.2.1]octyl 4-nitrophenyl phenylphosphonate (Q27147685)

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chemical compound

p-nitrophenyl 8-methyl-8-azoniabicyclo[3.2.1]octyl phenylphosphonate
(3-endo)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl 4-nitrophenyl phenylphosphonate

Language	Label	Description	Also known as
English	8-methyl-8-azoniabicyclo[3.2.1]octyl 4-nitrophenyl phenylphosphonate	chemical compound	p-nitrophenyl 8-methyl-8-azoniabicyclo[3.2.1]octyl phenylphosphonate (3-endo)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl 4-nitrophenyl phenylphosphonate

Statements

group of stereoisomers

0 references

chemical compound

0 references

403.141724±0 dalton

1 reference

language of work or name

(3-endo,8-syn)-8-Methyl-3-{[(4-nitrophenoxy)(phenyl)phosphoryl]oxy}-8-azoniabicyclo[3.2.1]octane (English)

8 October 2016

chemical formula

C₂₀H₂₄N₂O₅P⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[NH+]1C2(CCC1(CC(C2)(OP(C3=CC=CC=C3)(=O)OC4=CC=C(C=C4)N(=O)=O)[H])[H])[H]

1 reference

language of work or name

8-methyl-8-azoniabicyclo[3.2.1]octyl 4-nitrophenyl phenylphosphonate (English)

8 October 2016

isomeric SMILES

C[NH+]1[C@]2(CC[C@@]1(C[C@@](C2)(OP(C3=CC=CC=C3)(=O)OC4=CC=C(C=C4)N(=O)=O)[H])[H])[H]

1 reference

language of work or name

8-methyl-8-azoniabicyclo[3.2.1]octyl 4-nitrophenyl phenylphosphonate (English)

8 October 2016

Identifiers

InChI=1S/C20H23N2O5P/c1-21-16-7-8-17(21)14-19(13-16)27-28(25,20-5-3-2-4-6-20)26-18-11-9-15(10-12-18)22(23)24/h2-6,9-12,16-17,19H,7-8,13-14H2,1H3/p+1/t16-,17+,19+,28?

1 reference

language of work or name

8-methyl-8-azoniabicyclo[3.2.1]octyl 4-nitrophenyl phenylphosphonate (English)

8 October 2016

VZXIPESVYBSJJR-SQLBYQSASA-O

2 references

language of work or name

8-methyl-8-azoniabicyclo[3.2.1]octyl 4-nitrophenyl phenylphosphonate (English)

8 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

(3-endo,8-syn)-8-Methyl-3-{[(4-nitrophenoxy)(phenyl)phosphoryl]oxy}-8-azoniabicyclo[3.2.1]octane (English)

8 October 2016

mapping relation type

2 references

language of work or name

8-methyl-8-azoniabicyclo[3.2.1]octyl 4-nitrophenyl phenylphosphonate (English)

8 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C20H23N2O5P/c1-21-16-7-8-17(21)14-19(13-16)27-28(25,20-5-3-2-4-6-20)26-18-11-9-15(10-12-18)22(23)24/h2-6,9-12,16-17,19H,7-8,13-14H2,1H3/p+1/t16-,17+,19+,28?

IEDB Epitope ID

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

1 March 2022

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