N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C13H21N4O3+ MolecularWeight: 281.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)NC(=O)C2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)NC(=O)C2CC[NH2+]CC2

InChI

InChI=1S/C13H20N4O3/c1-8-7-11(17-20-8)16-12(18)9(2)15-13(19)10-3-5-14-6-4-10/h7,9-10,14H,3-6H2,1-2H3,(H,15,19)(H,16,17,18)/p+1/t9-/m0/s1