methyl (3S)-1-piperidin-1-ium-4-ylpiperidine-3-carboxylate

Systemtic Name: methyl (3S)-1-piperidin-1-ium-4-ylpiperidine-3-carboxylate Openeye Name: methyl (3S)-1-piperidin-1-ium-4-ylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-piperidin-1-iumyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S)-1-piperidin-1-ium-4-ylpiperidine-3-carboxylate Traditional Name: (3S)-1-piperidin-1-ium-4-ylnipecotic acid methyl ester Formula: C12H23N2O2+ MolecularWeight: 227.32322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)C2CC[NH2+]CC2

Isomeric SMILES

COC(=O)[C@H]1CCCN(C1)C2CC[NH2+]CC2

InChI

InChI=1S/C12H22N2O2/c1-16-12(15)10-3-2-8-14(9-10)11-4-6-13-7-5-11/h10-11,13H,2-9H2,1H3/p+1/t10-/m0/s1