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

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C19H20BrN3O2 MolecularWeight: 402.285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2.BrH/c1-3-12-21-16-6-4-5-7-17(16)22(19(21)20)13-18(23)14-8-10-15(24-2)11-9-14;/h3-11,20H,1,12-13H2,2H3;1H