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

Systemtic Name: 2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Openeye Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide CAS Name: 2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-(3,4-dimethoxyphenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Traditional Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Formula: C18H20BrN3O3 MolecularWeight: 406.2737

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC(=C(C=C3)OC)OC)N.[Br-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC(=C(C=C3)OC)OC)N.[Br-]

InChI

InChI=1S/C18H19N3O3.BrH/c1-20-13-6-4-5-7-14(13)21(18(20)19)11-15(22)12-8-9-16(23-2)17(10-12)24-3;/h4-10,19H,11H2,1-3H3;1H