2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-(4-ethoxyphenyl)ethanone bromide

Systemtic Name: 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-(4-ethoxyphenyl)ethanone bromide Openeye Name: 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-(4-ethoxyphenyl)ethanone bromide CAS Name: 2-(2,3-dimethyl-1-benzimidazol-3-iumyl)-1-(4-ethoxyphenyl)ethanone bromide IUPAC Name: 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-(4-ethoxyphenyl)ethanone bromide Traditional Name: 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-p-phenetyl-ethanone bromide Formula: C19H21BrN2O2 MolecularWeight: 389.28624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CN2C(=[N+](C3=CC=CC=C32)C)C.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CN2C(=[N+](C3=CC=CC=C32)C)C.[Br-]

InChI

InChI=1S/C19H21N2O2.BrH/c1-4-23-16-11-9-15(10-12-16)19(22)13-21-14(2)20(3)17-7-5-6-8-18(17)21;/h5-12H,4,13H2,1-3H3;1H/q+1;/p-1