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

Systemtic Name: [(3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidyl]methyl]ammonium CAS Name: [(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: benzyl-[[(3S)-3-hydroxy-2-keto-1-neopentyl-3-piperidyl]methyl]ammonium Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(C[NH2+]CC2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-17(2,3)14-20-11-7-10-18(22,16(20)21)13-19-12-15-8-5-4-6-9-15/h4-6,8-9,19,22H,7,10-14H2,1-3H3/p+1/t18-/m0/s1