[4-[(E)-2-pyridin-1-ium-1-ylethenyl]phenyl] benzoate

Systemtic Name: [4-[(E)-2-pyridin-1-ium-1-ylethenyl]phenyl] benzoate Openeye Name: [4-[(E)-2-pyridin-1-ium-1-ylvinyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-(1-pyridin-1-iumyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-1-ium-1-ylethenyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-pyridin-1-ium-1-ylvinyl]phenyl] ester Formula: C20H16NO2+ MolecularWeight: 302.34654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/[N+]3=CC=CC=C3

InChI

InChI=1S/C20H16NO2/c22-20(18-7-3-1-4-8-18)23-19-11-9-17(10-12-19)13-16-21-14-5-2-6-15-21/h1-16H/q+1/b16-13+