(S)-cis-N-methylstylopine (Q27105298)

(S)-cis-N-methylstylopine (English)

5 October 2016

chemical formula

C₂₀H₂₀NO₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[N+]12CCC3=CC4=C(C=C3C1CC5=C(C2)C6=C(C=C5)OCO6)OCO4

1 reference

(S)-cis-N-methylstylopine (English)

5 October 2016

isomeric SMILES

C[N@@+]12CCC3=CC4=C(C=C3[C@@H]1CC5=C(C2)C6=C(C=C5)OCO6)OCO4

1 reference

(S)-cis-N-methylstylopine (English)

InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1

5 October 2016

Identifiers

InChI

1 reference

(S)-cis-N-methylstylopine (English)

GBUUKFRQPCPYPW-KKSFZXQISA-N

5 October 2016

InChIKey

2 references

(S)-cis-N-methylstylopine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5S,12bS)-5-Methyl-6,7,12b,13-tetrahydro-4H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium (English)

5 October 2016

2 references

(S)-cis-N-methylstylopine (English)

matched by identifier from

5 October 2016

InChIKey

GBUUKFRQPCPYPW-KKSFZXQISA-N

Reaxys registry number

4723082

1 reference

(S)-cis-N-methylstylopine (English)

5 October 2016

ChEBI ID

444

mapping relation type

2 references

(S)-cis-N-methylstylopine (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1

1 reference

1 reference

(S)-cis-N-methylstylopine (English)