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

Systemtic Name: 4-[[4-[(Z)-2-(3-chlorophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[4-[(Z)-2-(3-chlorophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[(Z)-2-(3-chlorophenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[4-[(Z)-2-(3-chlorophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(Z)-2-(3-chlorophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C21H16ClNO2 MolecularWeight: 349.81024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClNO2/c22-20-3-1-2-17(14-20)5-4-16-10-12-23(13-11-16)15-18-6-8-19(9-7-18)21(24)25/h1-14H,15H2/b5-4-