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

Systemtic Name: 3-[[4-[(Z)-2-(3-ethoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[(Z)-2-(3-ethoxy-4-hydroxy-phenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[4-[(Z)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[4-[(Z)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[(Z)-2-(3-ethoxy-4-hydroxy-phenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C23H22NO4+ MolecularWeight: 376.42508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=CC=[N+](C=C2)CC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\C2=CC=[N+](C=C2)CC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C23H21NO4/c1-2-28-22-15-18(8-9-21(22)25)7-6-17-10-12-24(13-11-17)16-19-4-3-5-20(14-19)23(26)27/h3-15H,2,16H2,1H3,(H,26,27)/p+1