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

Systemtic Name: [(1R)-2-methyl-1-pyridin-1-ium-1-yl-prop-2-enyl] benzoate Openeye Name: [(1R)-2-methyl-1-pyridin-1-ium-1-yl-allyl] benzoate CAS Name: benzoic acid [(1R)-2-methyl-1-(1-pyridin-1-iumyl)prop-2-enyl] ester IUPAC Name: [(1R)-2-methyl-1-pyridin-1-ium-1-ylprop-2-enyl] benzoate Traditional Name: benzoic acid [(1R)-2-methyl-1-pyridin-1-ium-1-yl-allyl] ester Formula: C16H16NO2+ MolecularWeight: 254.30374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO2/c1-13(2)15(17-11-7-4-8-12-17)19-16(18)14-9-5-3-6-10-14/h3-12,15H,1H2,2H3/q+1/t15-/m1/s1