[(E)-3-phenyl-1-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl] benzoate chloride

Systemtic Name: [(E)-3-phenyl-1-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl] benzoate chloride Openeye Name: [(E)-3-phenyl-1-(4-phenylpyridin-1-ium-1-yl)allyl] benzoate chloride CAS Name: benzoic acid [(E)-3-phenyl-1-(4-phenyl-1-pyridin-1-iumyl)prop-2-enyl] ester chloride IUPAC Name: [(E)-3-phenyl-1-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl] benzoate chloride Traditional Name: benzoic acid [(E)-3-phenyl-1-(4-phenylpyridin-1-ium-1-yl)allyl] ester chloride Formula: C27H22ClNO2 MolecularWeight: 427.92208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC([N+]2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C([N+]2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H22NO2.ClH/c29-27(25-14-8-3-9-15-25)30-26(17-16-22-10-4-1-5-11-22)28-20-18-24(19-21-28)23-12-6-2-7-13-23;/h1-21,26H;1H/q+1;/p-1/b17-16+;