ethyl (2S)-1-(1-propylpiperidin-1-ium-4-yl)piperidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-(1-propylpiperidin-1-ium-4-yl)piperidine-2-carboxylate Openeye Name: ethyl (2S)-1-(1-propylpiperidin-1-ium-4-yl)piperidine-2-carboxylate CAS Name: (2S)-1-(1-propyl-4-piperidin-1-iumyl)-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-(1-propylpiperidin-1-ium-4-yl)piperidine-2-carboxylate Traditional Name: (2S)-1-(1-propylpiperidin-1-ium-4-yl)pipecolinic acid ethyl ester Formula: C16H31N2O2+ MolecularWeight: 283.42954

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)N2CCCCC2C(=O)OCC

Isomeric SMILES

CCC[NH+]1CCC(CC1)N2CCCC[C@H]2C(=O)OCC

InChI

InChI=1S/C16H30N2O2/c1-3-10-17-12-8-14(9-13-17)18-11-6-5-7-15(18)16(19)20-4-2/h14-15H,3-13H2,1-2H3/p+1/t15-/m0/s1