methyl 1-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C13H25N2O3+ MolecularWeight: 257.3492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH+]1CCC(CC1)C(=O)OC

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH+]1CCC(CC1)C(=O)OC

InChI

InChI=1S/C13H24N2O3/c1-9(2)14-12(16)10(3)15-7-5-11(6-8-15)13(17)18-4/h9-11H,5-8H2,1-4H3,(H,14,16)/p+1/t10-/m0/s1