4-[[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 4-[[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C23H21NO4 MolecularWeight: 375.41714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=CC=CC=[N+]2CC3=CC=C(C=C3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=CC=CC=[N+]2CC3=CC=C(C=C3)C(=O)[O-])OC

InChI

InChI=1S/C23H21NO4/c1-27-21-13-9-17(15-22(21)28-2)8-12-20-5-3-4-14-24(20)16-18-6-10-19(11-7-18)23(25)26/h3-15H,16H2,1-2H3/b12-8+