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

Systemtic Name: ethyl 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C13H21N4O4+ MolecularWeight: 297.33024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NOC(=C2)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C13H20N4O4/c1-3-20-13(19)17-6-4-16(5-7-17)9-12(18)14-11-8-10(2)21-15-11/h8H,3-7,9H2,1-2H3,(H,14,15,18)/p+1