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

Systemtic Name: ethyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-[(5-methylisoxazol-3-yl)amino]-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-[(5-methyl-3-isoxazolyl)amino]-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-keto-3-[(5-methylisoxazol-3-yl)amino]propyl]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)CCC(=O)NC2=NOC(=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O4/c1-3-21-14(20)18-8-6-17(7-9-18)5-4-13(19)15-12-10-11(2)22-16-12/h10H,3-9H2,1-2H3,(H,15,16,19)/p+1