(3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]piperidin-2-one

Systemtic Name: (3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]piperidin-2-one CAS Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-2-piperidinone IUPAC Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1-neopentyl-2-piperidone Formula: C16H31N2O3+ MolecularWeight: 299.42894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(C[NH+]2CCC(CC2)O)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@@](C1=O)(C[NH+]2CCC(CC2)O)O

InChI

InChI=1S/C16H30N2O3/c1-15(2,3)11-18-8-4-7-16(21,14(18)20)12-17-9-5-13(19)6-10-17/h13,19,21H,4-12H2,1-3H3/p+1/t16-/m0/s1