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

Systemtic Name: 3-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-[(E)-2-(3-methoxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-[(E)-2-(3-methoxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C22H20NO3+ MolecularWeight: 346.3991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H19NO3/c1-26-21-10-5-6-17(15-21)11-12-20-9-2-3-13-23(20)16-18-7-4-8-19(14-18)22(24)25/h2-15H,16H2,1H3/p+1/b12-11+