1-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-[(3S)-3-methyl-1-piperidinyl]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[(3S)-3-methylpiperidino]ethyl]pyrazole-3-carboxylate Formula: C13H18N3O3- MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C(C)N2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)[C@H](C)N2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-9-4-3-6-15(8-9)12(17)10(2)16-7-5-11(14-16)13(18)19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,18,19)/p-1/t9-,10-/m0/s1