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

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Openeye Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-1-(3,4-dimethoxyphenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC=C)N)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC=C)N)OC.[Br-]

InChI

InChI=1S/C20H21N3O3.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;/h4-10,12,21H,1,11,13H2,2-3H3;1H