3-[[2-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 3-[[2-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[2-[(E)-styryl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[2-[(E)-2-phenylethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[2-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[2-[(E)-styryl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C21H17NO2 MolecularWeight: 315.36518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C21H17NO2/c23-21(24)19-10-6-9-18(15-19)16-22-14-5-4-11-20(22)13-12-17-7-2-1-3-8-17/h1-15H,16H2/b13-12+