[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2,2-diphenylethanoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2,2-diphenylethanoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-18(17-23-15-9-4-10-16-23)25-22(24)21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21H,4,9-10,15-17H2,1H3/p+1/t18-/m1/s1