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

Systemtic Name: 3-[[4-[(Z)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[(Z)-2-(4-methoxycarbonylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[4-[(Z)-2-(4-methoxycarbonylphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[4-[(Z)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[(Z)-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=[N+](C=C2)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO4/c1-28-23(27)20-9-7-17(8-10-20)5-6-18-11-13-24(14-12-18)16-19-3-2-4-21(15-19)22(25)26/h2-15H,16H2,1H3/p+1/b6-5-