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

Systemtic Name: methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C13H20N3O4+ MolecularWeight: 282.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C13H19N3O4/c1-9-7-11(15-20-9)14-12(17)8-16-5-3-10(4-6-16)13(18)19-2/h7,10H,3-6,8H2,1-2H3,(H,14,15,17)/p+1