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

Systemtic Name: [(1R)-2-methyl-1-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl] benzoate Openeye Name: [(1R)-2-methyl-1-(4-phenylpyridin-1-ium-1-yl)allyl] benzoate CAS Name: benzoic acid [(1R)-2-methyl-1-(4-phenyl-1-pyridin-1-iumyl)prop-2-enyl] ester IUPAC Name: [(1R)-2-methyl-1-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl] benzoate Traditional Name: benzoic acid [(1R)-2-methyl-1-(4-phenylpyridin-1-ium-1-yl)allyl] ester Formula: C22H20NO2+ MolecularWeight: 330.3997

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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

Isomeric SMILES

CC(=C)[C@H]([N+]1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20NO2/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/q+1/t21-/m1/s1