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

Systemtic Name: [(3R)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-methyl-(1,3-thiazol-2-ylmethyl)azanium Openeye Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-methyl-(thiazol-2-ylmethyl)ammonium CAS Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-methyl-(2-thiazolylmethyl)ammonium IUPAC Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methyl-(1,3-thiazol-2-ylmethyl)azanium Traditional Name: [(3R)-3-hydroxy-2-keto-1-neopentyl-3-piperidyl]methyl-methyl-(thiazol-2-ylmethyl)ammonium Formula: C16H28N3O2S+ MolecularWeight: 326.47742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(C[NH+](C)CC2=NC=CS2)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@](C1=O)(C[NH+](C)CC2=NC=CS2)O

InChI

InChI=1S/C16H27N3O2S/c1-15(2,3)11-19-8-5-6-16(21,14(19)20)12-18(4)10-13-17-7-9-22-13/h7,9,21H,5-6,8,10-12H2,1-4H3/p+1/t16-/m1/s1