methyl 1-[(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H27N4O3+ MolecularWeight: 323.41058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H26N4O3/c1-10-14(11(2)19(4)18-10)17-15(21)12(3)20-8-6-13(7-9-20)16(22)23-5/h12-13H,6-9H2,1-5H3,(H,17,21)/p+1/t12-/m0/s1