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

Systemtic Name: 3-[[4-[(Z)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C22H20NO4+ MolecularWeight: 362.3985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=[N+](C=C2)CC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4/c1-27-21-14-17(7-8-20(21)24)6-5-16-9-11-23(12-10-16)15-18-3-2-4-19(13-18)22(25)26/h2-14H,15H2,1H3,(H,25,26)/p+1