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

Systemtic Name: 1-(6-azanylhexyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine chloride Openeye Name: 1-(6-aminohexyl)-3-benzyl-benzimidazol-3-ium-2-amine chloride CAS Name: 1-(6-aminohexyl)-3-(phenylmethyl)-2-benzimidazol-3-iumamine chloride IUPAC Name: 1-(6-aminohexyl)-3-benzylbenzimidazol-3-ium-2-amine chloride Traditional Name: 6-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)hexylamine chloride Formula: C20H27ClN4 MolecularWeight: 358.90818

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4.ClH/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;1H