2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-N-methyl-ethanamide bromide

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-N-methyl-ethanamide bromide Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-N-methyl-acetamide bromide CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-N-methylacetamide bromide IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-N-methylacetamide bromide Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-N-methyl-acetamide bromide Formula: C17H19BrN4O MolecularWeight: 375.26296

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CNC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H18N4O.BrH/c1-19-16(22)12-21-15-10-6-5-9-14(15)20(17(21)18)11-13-7-3-2-4-8-13;/h2-10,18H,11-12H2,1H3,(H,19,22);1H