[(2R)-1-piperidin-1-ium-1-yl-3-piperidin-1-yl-propan-2-yl] benzoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-yl-3-piperidin-1-yl-propan-2-yl] benzoate Openeye Name: [(1R)-1-(piperidin-1-ium-1-ylmethyl)-2-(1-piperidyl)ethyl] benzoate CAS Name: benzoic acid [(2R)-1-(1-piperidin-1-iumyl)-3-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-yl-3-piperidin-1-ylpropan-2-yl] benzoate Traditional Name: benzoic acid [(1R)-1-(piperidin-1-ium-1-ylmethyl)-2-piperidino-ethyl] ester Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CN2CCCCC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](CN2CCCCC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H30N2O2/c23-20(18-10-4-1-5-11-18)24-19(16-21-12-6-2-7-13-21)17-22-14-8-3-9-15-22/h1,4-5,10-11,19H,2-3,6-9,12-17H2/p+1