(3S)-1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-methylpiperidino)ethyl]piperidin-1-ium-3-carboxylate Formula: C14H24N2O3 MolecularWeight: 268.35196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C14H24N2O3/c1-11-4-7-16(8-5-11)13(17)10-15-6-2-3-12(9-15)14(18)19/h11-12H,2-10H2,1H3,(H,18,19)/t12-/m0/s1