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

Systemtic Name: 4-[[2-[(E)-2-(3-chlorophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[2-[(E)-2-(3-chlorophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[2-[(E)-2-(3-chlorophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[2-[(E)-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=[N+](C(=C1)C=CC2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClNO2/c22-19-5-3-4-16(14-19)9-12-20-6-1-2-13-23(20)15-17-7-10-18(11-8-17)21(24)25/h1-14H,15H2/b12-9+