1-(11-azanylundecyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine chloride

Systemtic Name: 1-(11-azanylundecyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine chloride Openeye Name: 1-(11-aminoundecyl)-3-benzyl-benzimidazol-3-ium-2-amine chloride CAS Name: 1-(11-aminoundecyl)-3-(phenylmethyl)-2-benzimidazol-3-iumamine chloride IUPAC Name: 1-(11-aminoundecyl)-3-benzylbenzimidazol-3-ium-2-amine chloride Traditional Name: 11-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)undecylamine chloride Formula: C25H37ClN4 MolecularWeight: 429.04108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCCCCN)N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCCCCN)N.[Cl-]

InChI

InChI=1S/C25H36N4.ClH/c26-19-13-6-4-2-1-3-5-7-14-20-28-23-17-11-12-18-24(23)29(25(28)27)21-22-15-9-8-10-16-22;/h8-12,15-18,27H,1-7,13-14,19-21,26H2;1H