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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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