Molecule ID: 3382775

IUPAC Name: N-[(4-aminophenyl)methyl]-2,3,4,5-tetrahydropyridin-1-ium-6-amine

Description: The molecule is a carboxamidinium ion consisting of 2,3,4,5-tetrahydropyridinium having a (4-aminobenzyl)amino group at the 2-position. It has a role as an epitope.

SMILES: [NH3+]c1ccc(CNC2=NCCCC2)cc1

SELFIES: [NH3+1][C][=C][C][=C][Branch1][O][C][N][C][=N][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C]

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

Molecular Properties:
- Polar Surface Area: 52.0 Ų
- LogP: 0.7