2-(3H-benzimidazol-1-ium-1-yl)-N-[(4-methylphenyl)methyl]ethanamine

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-yl)-N-[(4-methylphenyl)methyl]ethanamine Openeye Name: 2-(3H-benzimidazol-1-ium-1-yl)-N-(p-tolylmethyl)ethanamine CAS Name: 2-(3H-benzimidazol-1-ium-1-yl)-N-[(4-methylphenyl)methyl]ethanamine IUPAC Name: 2-(3H-benzimidazol-1-ium-1-yl)-N-[(4-methylphenyl)methyl]ethanamine Traditional Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(4-methylbenzyl)amine Formula: C17H20N3+ MolecularWeight: 266.3608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC[N+]2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)CNCC[N+]2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H19N3/c1-14-6-8-15(9-7-14)12-18-10-11-20-13-19-16-4-2-3-5-17(16)20/h2-9,13,18H,10-12H2,1H3/p+1