[2-methyl-1-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl] benzoate chloride

Systemtic Name: [2-methyl-1-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl] benzoate chloride Openeye Name: [2-methyl-1-(4-phenylpyridin-1-ium-1-yl)allyl] benzoate chloride CAS Name: benzoic acid [2-methyl-1-(4-phenyl-1-pyridin-1-iumyl)prop-2-enyl] ester chloride IUPAC Name: [2-methyl-1-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl] benzoate chloride Traditional Name: benzoic acid [2-methyl-1-(4-phenylpyridin-1-ium-1-yl)allyl] ester chloride Formula: C22H20ClNO2 MolecularWeight: 365.8527

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C([N+]1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(=C)C([N+]1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H20NO2.ClH/c1-17(2)21(25-22(24)20-11-7-4-8-12-20)23-15-13-19(14-16-23)18-9-5-3-6-10-18;/h3-16,21H,1H2,2H3;1H/q+1;/p-1