2-(3-azanyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-(3-azanyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(3-amino-5,6-dimethyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(3-amino-5,6-dimethyl-1-benzimidazol-1-iumyl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(3-amino-5,6-dimethylbenzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(3-amino-5,6-dimethyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C18H20BrN3O2 MolecularWeight: 390.2743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2N)CC(=O)C3=CC=C(C=C3)OC.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2N)CC(=O)C3=CC=C(C=C3)OC.[Br-]

InChI

InChI=1S/C18H20N3O2.BrH/c1-12-8-16-17(9-13(12)2)21(19)11-20(16)10-18(22)14-4-6-15(23-3)7-5-14;/h4-9,11H,10,19H2,1-3H3;1H/q+1;/p-1