6-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]hexanamide bromide

Systemtic Name: 6-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]hexanamide bromide Openeye Name: 6-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)hexanamide bromide CAS Name: 6-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]hexanamide bromide IUPAC Name: 6-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)hexanamide bromide Traditional Name: 6-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)hexanamide bromide Formula: C20H25BrN4O MolecularWeight: 417.3427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCC(=O)N)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCC(=O)N)N.[Br-]

InChI

InChI=1S/C20H24N4O.BrH/c21-19(25)13-5-2-8-14-23-17-11-6-7-12-18(17)24(20(23)22)15-16-9-3-1-4-10-16;/h1,3-4,6-7,9-12,22H,2,5,8,13-15H2,(H2,21,25);1H