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

Systemtic Name: 4-[[4-[(Z)-2-(3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[4-[(Z)-2-(3-methoxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[4-[(Z)-2-(3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(Z)-2-(3-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=CC(=C1)C=CC2=CC=[N+](C=C2)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

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