[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-(4-chlorophenyl)ethanoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-(4-chlorophenyl)ethanoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 2-(4-chlorophenyl)acetate CAS Name: 2-(4-chlorophenyl)acetic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-(4-chlorophenyl)acetate Traditional Name: 2-(4-chlorophenyl)acetic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C16H23ClNO2+ MolecularWeight: 296.81232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H22ClNO2/c1-13(12-18-9-3-2-4-10-18)20-16(19)11-14-5-7-15(17)8-6-14/h5-8,13H,2-4,9-12H2,1H3/p+1/t13-/m1/s1