[(E)-3-phenyl-1-pyridin-1-ium-1-yl-prop-2-enyl] benzoate chloride

Systemtic Name: [(E)-3-phenyl-1-pyridin-1-ium-1-yl-prop-2-enyl] benzoate chloride Openeye Name: [(E)-3-phenyl-1-pyridin-1-ium-1-yl-allyl] benzoate chloride CAS Name: benzoic acid [(E)-3-phenyl-1-(1-pyridin-1-iumyl)prop-2-enyl] ester chloride IUPAC Name: [(E)-3-phenyl-1-pyridin-1-ium-1-ylprop-2-enyl] benzoate chloride Traditional Name: benzoic acid [(E)-3-phenyl-1-pyridin-1-ium-1-yl-allyl] ester chloride Formula: C21H18ClNO2 MolecularWeight: 351.82612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18NO2.ClH/c23-21(19-12-6-2-7-13-19)24-20(22-16-8-3-9-17-22)15-14-18-10-4-1-5-11-18;/h1-17,20H;1H/q+1;/p-1/b15-14+;