[(3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-3-hydroxy-2-keto-1-neopentyl-3-piperidyl]methyl-(4-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=NC=C2)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@@](C1=O)(C[NH2+]CC2=CC=NC=C2)O

InChI

InChI=1S/C17H27N3O2/c1-16(2,3)13-20-10-4-7-17(22,15(20)21)12-19-11-14-5-8-18-9-6-14/h5-6,8-9,19,22H,4,7,10-13H2,1-3H3/p+1/t17-/m0/s1