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

Systemtic Name: ethyl 1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H26N3O4+ MolecularWeight: 324.39534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CC[C@H](C(=O)NC1=NOC(=C1)C)[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C16H25N3O4/c1-4-13(15(20)17-14-10-11(3)23-18-14)19-8-6-12(7-9-19)16(21)22-5-2/h10,12-13H,4-9H2,1-3H3,(H,17,18,20)/p+1/t13-/m1/s1