2-[2-azanyl-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone bromide

Systemtic Name: 2-[2-azanyl-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone bromide Openeye Name: 2-[2-amino-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone bromide CAS Name: 2-[2-amino-3-[2-(4-morpholinyl)ethyl]-1-benzimidazol-1-iumyl]-1-(3,4-dimethoxyphenyl)ethanone bromide IUPAC Name: 2-[2-amino-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone bromide Traditional Name: 2-[2-amino-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone bromide Formula: C23H29BrN4O4 MolecularWeight: 505.40476

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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)CCN4CCOCC4)N)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CCN4CCOCC4)N)OC.[Br-]

InChI

InChI=1S/C23H28N4O4.BrH/c1-29-21-8-7-17(15-22(21)30-2)20(28)16-27-19-6-4-3-5-18(19)26(23(27)24)10-9-25-11-13-31-14-12-25;/h3-8,15,24H,9-14,16H2,1-2H3;1H