2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Openeye Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide CAS Name: 2-(2-amino-3-propyl-1-benzimidazol-1-iumyl)-1-(3,4-dimethoxyphenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-propylbenzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Traditional Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Formula: C20H24BrN3O3 MolecularWeight: 434.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C=C3)OC)OC.[Br-]

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C=C3)OC)OC.[Br-]

InChI

InChI=1S/C20H23N3O3.BrH/c1-4-11-22-15-7-5-6-8-16(15)23(20(22)21)13-17(24)14-9-10-18(25-2)19(12-14)26-3;/h5-10,12,21H,4,11,13H2,1-3H3;1H