ethyl (3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)nipecotic acid ethyl ester Formula: C14H27N2O2+ MolecularWeight: 255.37638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2CC[NH+](CC2)C

InChI

InChI=1S/C14H26N2O2/c1-3-18-14(17)12-5-4-8-16(11-12)13-6-9-15(2)10-7-13/h12-13H,3-11H2,1-2H3/p+1/t12-/m0/s1