1-(4-methylphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-methylphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-1-(p-tolyl)ethanone bromide CAS Name: 1-(4-methylphenyl)-2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-methylphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]-1-(p-tolyl)ethanone bromide Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C21H19N2O3.BrH/c1-16-2-6-19(7-3-16)21(24)15-22-12-10-18(11-13-22)14-17-4-8-20(9-5-17)23(25)26;/h2-13H,14-15H2,1H3;1H/q+1;/p-1