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

Systemtic Name: [(3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-(2-pyridylmethyl)ammonium CAS Name: [(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [(3S)-3-hydroxy-2-keto-1-neopentyl-3-piperidyl]methyl-(2-pyridylmethyl)ammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(C[NH2+]CC2=CC=CC=N2)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@@](C1=O)(C[NH2+]CC2=CC=CC=N2)O

InChI

InChI=1S/C17H27N3O2/c1-16(2,3)13-20-10-6-8-17(22,15(20)21)12-18-11-14-7-4-5-9-19-14/h4-5,7,9,18,22H,6,8,10-13H2,1-3H3/p+1/t17-/m0/s1