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

Systemtic Name: 3-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[4-[(Z)-2-(4-chlorophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-[(Z)-2-(4-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)C[N+]2=CC=C(C=C2)C=CC3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C[N+]2=CC=C(C=C2)/C=C\C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

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