prop-2-enyl 2-[2-(4-methylphenyl)-3H-benzimidazol-1-ium-1-yl]ethanoate bromide

Systemtic Name: prop-2-enyl 2-[2-(4-methylphenyl)-3H-benzimidazol-1-ium-1-yl]ethanoate bromide Openeye Name: allyl 2-[2-(p-tolyl)-3H-benzimidazol-1-ium-1-yl]acetate bromide CAS Name: 2-[2-(4-methylphenyl)-3H-benzimidazol-1-ium-1-yl]acetic acid prop-2-enyl ester bromide IUPAC Name: prop-2-enyl 2-[2-(4-methylphenyl)-3H-benzimidazol-1-ium-1-yl]acetate bromide Traditional Name: 2-[2-(p-tolyl)-3H-benzimidazol-1-ium-1-yl]acetic acid allyl ester bromide Formula: C19H19BrN2O2 MolecularWeight: 387.27036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N2)CC(=O)OCC=C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N2)CC(=O)OCC=C.[Br-]

InChI

InChI=1S/C19H18N2O2.BrH/c1-3-12-23-18(22)13-21-17-7-5-4-6-16(17)20-19(21)15-10-8-14(2)9-11-15;/h3-11H,1,12-13H2,2H3;1H