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

Systemtic Name: 3-[[4-[(Z)-2-(3-chlorophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[4-[(Z)-2-(3-chlorophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-[(Z)-2-(3-chlorophenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[4-[(Z)-2-(3-chlorophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[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=CC(=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClNO2/c22-20-6-2-3-17(14-20)8-7-16-9-11-23(12-10-16)15-18-4-1-5-19(13-18)21(24)25/h1-14H,15H2/b8-7-