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

Systemtic Name: 4-[[2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 4-[[2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-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=CC=[N+]2CC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

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

InChI

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