(3S)-1-(1-methylpiperidin-4-yl)piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-(1-methylpiperidin-4-yl)piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-(1-methyl-4-piperidyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(1-methyl-4-piperidinyl)-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-(1-methylpiperidin-4-yl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(1-methyl-4-piperidyl)piperidin-1-ium-3-carboxylate Formula: C12H22N2O2 MolecularWeight: 226.31528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

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