ethyl (3S)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C14H22N3O4+ MolecularWeight: 296.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=NOC(=C2)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C14H21N3O4/c1-3-20-14(19)11-5-4-6-17(8-11)9-13(18)15-12-7-10(2)21-16-12/h7,11H,3-6,8-9H2,1-2H3,(H,15,16,18)/p+1/t11-/m0/s1