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

Systemtic Name: 4-[[2-[(E)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-2-(3-ethoxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 4-[[2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-2-m-phenetylvinyl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C23H22NO3+ MolecularWeight: 360.42568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C=CC2=CC=CC=[N+]2CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO3/c1-2-27-22-8-5-6-18(16-22)11-14-21-7-3-4-15-24(21)17-19-9-12-20(13-10-19)23(25)26/h3-16H,2,17H2,1H3/p+1/b14-11+