3-[[2-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[2-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-[(E)-2-(o-tolyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[2-[(E)-2-(2-methylphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[2-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-[(E)-2-(o-tolyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C22H20NO2+ MolecularWeight: 330.3997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO2/c1-17-7-2-3-9-19(17)12-13-21-11-4-5-14-23(21)16-18-8-6-10-20(15-18)22(24)25/h2-15H,16H2,1H3/p+1/b13-12+