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

Systemtic Name: 3-[[4-[(Z)-2-(4-ethylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[4-[(Z)-2-(4-ethylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-[(Z)-2-(4-ethylphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[4-[(Z)-2-(4-ethylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-[(Z)-2-(4-ethylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C23H21NO2 MolecularWeight: 343.41834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C\C2=CC=[N+](C=C2)CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C23H21NO2/c1-2-18-6-8-19(9-7-18)10-11-20-12-14-24(15-13-20)17-21-4-3-5-22(16-21)23(25)26/h3-16H,2,17H2,1H3/b11-10-