(3S)-1-(2,2-dimethylpropyl)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-piperidin-2-one

Systemtic Name: (3S)-1-(2,2-dimethylpropyl)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-piperidin-2-one Openeye Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one CAS Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidinone IUPAC Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-neopentyl-3-(1,4-oxazepan-4-ium-4-ylmethyl)-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+]2CCCOCC2)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@@](C1=O)(C[NH+]2CCCOCC2)O

InChI

InChI=1S/C16H30N2O3/c1-15(2,3)12-18-8-4-6-16(20,14(18)19)13-17-7-5-10-21-11-9-17/h20H,4-13H2,1-3H3/p+1/t16-/m0/s1