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

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

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)O)O

InChI

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