2-[1-(phenylmethyl)pyridin-1-ium-2-yl]propan-2-yl benzoate

Systemtic Name: 2-[1-(phenylmethyl)pyridin-1-ium-2-yl]propan-2-yl benzoate Openeye Name: [1-(1-benzylpyridin-1-ium-2-yl)-1-methyl-ethyl] benzoate CAS Name: benzoic acid 2-[1-(phenylmethyl)-2-pyridin-1-iumyl]propan-2-yl ester IUPAC Name: 2-(1-benzylpyridin-1-ium-2-yl)propan-2-yl benzoate Traditional Name: benzoic acid [1-(1-benzylpyridin-1-ium-2-yl)-1-methyl-ethyl] ester Formula: C22H22NO2+ MolecularWeight: 332.41558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=[N+]1CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C1=CC=CC=[N+]1CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22NO2/c1-22(2,25-21(24)19-13-7-4-8-14-19)20-15-9-10-16-23(20)17-18-11-5-3-6-12-18/h3-16H,17H2,1-2H3/q+1