5,6-dimethyl-2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]-1H-benzimidazole bromide

Systemtic Name: 5,6-dimethyl-2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]-1H-benzimidazole bromide Openeye Name: 5,6-dimethyl-2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]-1H-benzimidazole bromide CAS Name: 5,6-dimethyl-2-[2-(4-methyl-1-pyridin-1-iumyl)ethyl]-1H-benzimidazole bromide IUPAC Name: 5,6-dimethyl-2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]-1H-benzimidazole bromide Traditional Name: 5,6-dimethyl-2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]-1H-benzimidazole bromide Formula: C17H20BrN3 MolecularWeight: 346.2648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCC2=NC3=C(N2)C=C(C(=C3)C)C.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CCC2=NC3=C(N2)C=C(C(=C3)C)C.[Br-]

InChI

InChI=1S/C17H20N3.BrH/c1-12-4-7-20(8-5-12)9-6-17-18-15-10-13(2)14(3)11-16(15)19-17;/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,18,19);1H/q+1;/p-1