3-[[4-[(Z)-2-(4-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 3-[[4-[(Z)-2-(4-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[4-[(Z)-2-(4-methoxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[4-[(Z)-2-(4-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-[(Z)-2-(4-methoxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C22H19NO3 MolecularWeight: 345.39116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C\C2=CC=[N+](C=C2)CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C22H19NO3/c1-26-21-9-7-17(8-10-21)5-6-18-11-13-23(14-12-18)16-19-3-2-4-20(15-19)22(24)25/h2-15H,16H2,1H3/b6-5-