ethyl (3R)-3-(phenylmethyl)-1-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-(phenylmethyl)-1-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-benzyl-1-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxylate CAS Name: (3R)-3-(phenylmethyl)-1-(1-propyl-4-piperidin-1-iumyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-benzyl-1-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxylate Traditional Name: (3R)-3-benzyl-1-(1-propylpiperidin-1-ium-4-yl)nipecotic acid ethyl ester Formula: C23H37N2O2+ MolecularWeight: 373.55208

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)N2CCCC(C2)(CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC[NH+]1CCC(CC1)N2CCC[C@](C2)(CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H36N2O2/c1-3-14-24-16-11-21(12-17-24)25-15-8-13-23(19-25,22(26)27-4-2)18-20-9-6-5-7-10-20/h5-7,9-10,21H,3-4,8,11-19H2,1-2H3/p+1/t23-/m1/s1