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

Systemtic Name: 4-[[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-2-(4-methoxycarbonylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 4-[[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-2-(4-carbomethoxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C23H20NO4+ MolecularWeight: 374.4092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO4/c1-28-23(27)20-12-5-17(6-13-20)9-14-21-4-2-3-15-24(21)16-18-7-10-19(11-8-18)22(25)26/h2-15H,16H2,1H3/p+1/b14-9+