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

Systemtic Name: 3-[[2-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-[(E)-styryl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[2-[(E)-2-phenylethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[2-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-[(E)-styryl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C21H18NO2+ MolecularWeight: 316.37312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO2/c23-21(24)19-10-6-9-18(15-19)16-22-14-5-4-11-20(22)13-12-17-7-2-1-3-8-17/h1-15H,16H2/p+1/b13-12+