1-(6-azanylhexyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine

Systemtic Name: 1-(6-azanylhexyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine Openeye Name: 1-(6-aminohexyl)-3-benzyl-benzimidazol-3-ium-2-amine CAS Name: 1-(6-aminohexyl)-3-(phenylmethyl)-2-benzimidazol-3-iumamine IUPAC Name: 1-(6-aminohexyl)-3-benzylbenzimidazol-3-ium-2-amine Traditional Name: 6-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)hexylamine Formula: C20H27N4+ MolecularWeight: 323.45518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCN)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCN)N

InChI

InChI=1S/C20H26N4/c21-14-8-1-2-9-15-23-18-12-6-7-13-19(18)24(20(23)22)16-17-10-4-3-5-11-17/h3-7,10-13,22H,1-2,8-9,14-16,21H2/p+1