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

Systemtic Name: 3-[[4-[(Z)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[4-[(Z)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-[(Z)-2-(4-dimethylaminophenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[4-[(Z)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-[(Z)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C23H22N2O2 MolecularWeight: 358.43298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2/c1-24(2)22-10-8-18(9-11-22)6-7-19-12-14-25(15-13-19)17-20-4-3-5-21(16-20)23(26)27/h3-16H,17H2,1-2H3