3-[[4-[(Z)-2-(2-methylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-[(Z)-2-(2-methylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[(Z)-2-(o-tolyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[4-[(Z)-2-(2-methylphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[4-[(Z)-2-(2-methylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[(Z)-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=[N+](C=C2)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO2/c1-17-5-2-3-7-20(17)10-9-18-11-13-23(14-12-18)16-19-6-4-8-21(15-19)22(24)25/h2-15H,16H2,1H3/p+1/b10-9-