ethyl 4-[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-1-methyl-2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[(3-methyl-5-isoxazolyl)amino]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-keto-1-methyl-2-[(3-methylisoxazol-5-yl)amino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H23N4O4+ MolecularWeight: 311.35682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NC2=CC(=NO2)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC(=NO2)C

InChI

InChI=1S/C14H22N4O4/c1-4-21-14(20)18-7-5-17(6-8-18)11(3)13(19)15-12-9-10(2)16-22-12/h9,11H,4-8H2,1-3H3,(H,15,19)/p+1/t11-/m1/s1