ethyl 5-[(2-oxidanylidenepiperazin-4-ium-1-yl)methyl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[(2-oxidanylidenepiperazin-4-ium-1-yl)methyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[(2-oxopiperazin-4-ium-1-yl)methyl]isoxazole-3-carboxylate CAS Name: 5-[(2-oxo-1-piperazin-4-iumyl)methyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-oxopiperazin-4-ium-1-yl)methyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[(2-ketopiperazin-4-ium-1-yl)methyl]isoxazole-3-carboxylic acid ethyl ester Formula: C11H16N3O4+ MolecularWeight: 254.26244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)CN2CC[NH2+]CC2=O

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)CN2CC[NH2+]CC2=O

InChI

InChI=1S/C11H15N3O4/c1-2-17-11(16)9-5-8(18-13-9)7-14-4-3-12-6-10(14)15/h5,12H,2-4,6-7H2,1H3/p+1