1-[(2R)-1-[(1-methylpiperidin-1-ium-4-yl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2R)-1-[(1-methylpiperidin-1-ium-4-yl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1R)-1-methyl-2-[(1-methylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2R)-1-[(1-methyl-4-piperidin-1-iumyl)amino]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-[(1-methylpiperidin-1-ium-4-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-[(1-methylpiperidin-1-ium-4-yl)amino]ethyl]pyrazole-3-carboxylate Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC[NH+](CC1)C)N2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1CC[NH+](CC1)C)N2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C13H20N4O3/c1-9(17-8-5-11(15-17)13(19)20)12(18)14-10-3-6-16(2)7-4-10/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,18)(H,19,20)/t9-/m1/s1