1-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-3,3-dimethyl-butan-2-one bromide

Systemtic Name: 1-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-3,3-dimethyl-butan-2-one bromide Openeye Name: 1-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-3,3-dimethyl-butan-2-one bromide CAS Name: 1-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-3,3-dimethyl-2-butanone bromide IUPAC Name: 1-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-3,3-dimethylbutan-2-one bromide Traditional Name: 1-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-3,3-dimethyl-butan-2-one bromide Formula: C20H24BrN3O MolecularWeight: 402.32806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O.BrH/c1-20(2,3)18(24)14-23-17-12-8-7-11-16(17)22(19(23)21)13-15-9-5-4-6-10-15;/h4-12,21H,13-14H2,1-3H3;1H