6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium (Q27120644)

CHEBI:46087 (English)

19 October 2016

chemical formula

C₁₂H₁₈N₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1CC[NH+]=C(C1)NCC2=CC=C(C=C2)N

1 reference

CHEBI:46087 (English)

InChI=1S/C12H17N3/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7H,1-3,8-9,13H2,(H,14,15)/p+1

19 October 2016

Identifiers

InChI

1 reference

CHEBI:46087 (English)

FWTCHDHYLQERRE-UHFFFAOYSA-O

19 October 2016

InChIKey

2 references

CHEBI:46087 (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-[(4-Aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium (English)

19 October 2016

2 references

CHEBI:46087 (English)

matched by identifier from

19 October 2016

InChIKey

FWTCHDHYLQERRE-UHFFFAOYSA-O

ChEBI ID

46087

mapping relation type

2 references

6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C12H17N3/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7H,1-3,8-9,13H2,(H,14,15)/p+1

1 reference

1 reference

Immune Epitope Database and Analysis Resource

1 March 2022

0 references

1 reference

1F3D (English)