ethyl 2-[3-methyl-2-(4-methylphenyl)benzimidazol-3-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-methyl-2-(4-methylphenyl)benzimidazol-3-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-methyl-2-(p-tolyl)benzimidazol-3-ium-1-yl]acetate bromide CAS Name: 2-[3-methyl-2-(4-methylphenyl)-1-benzimidazol-3-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-methyl-2-(4-methylphenyl)benzimidazol-3-ium-1-yl]acetate bromide Traditional Name: 2-[3-methyl-2-(p-tolyl)benzimidazol-3-ium-1-yl]acetic acid ethyl ester bromide Formula: C19H21BrN2O2 MolecularWeight: 389.28624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)C)C.[Br-]

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)C)C.[Br-]

InChI

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