[(3R)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium

Systemtic Name: [(3R)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium Openeye Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-(isoxazol-5-ylmethyl)-methyl-ammonium CAS Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-(5-isoxazolylmethyl)-methylammonium IUPAC Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium Traditional Name: [(3R)-3-hydroxy-2-keto-1-neopentyl-3-piperidyl]methyl-(isoxazol-5-ylmethyl)-methyl-ammonium Formula: C16H28N3O3+ MolecularWeight: 310.41182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(C[NH+](C)CC2=CC=NO2)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@](C1=O)(C[NH+](C)CC2=CC=NO2)O

InChI

InChI=1S/C16H27N3O3/c1-15(2,3)11-19-9-5-7-16(21,14(19)20)12-18(4)10-13-6-8-17-22-13/h6,8,21H,5,7,9-12H2,1-4H3/p+1/t16-/m1/s1