(3S)-1-(cyclohexylmethyl)-3-oxidanyl-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one

Systemtic Name: (3S)-1-(cyclohexylmethyl)-3-oxidanyl-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one Openeye Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one CAS Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(4-thiomorpholin-4-iumylmethyl)-2-piperidinone IUPAC Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one Traditional Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(thiomorpholin-4-ium-4-ylmethyl)-2-piperidone Formula: C17H31N2O2S+ MolecularWeight: 327.50524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCCC(C2=O)(C[NH+]3CCSCC3)O

Isomeric SMILES

C1CCC(CC1)CN2CCC[C@@](C2=O)(C[NH+]3CCSCC3)O

InChI

InChI=1S/C17H30N2O2S/c20-16-17(21,14-18-9-11-22-12-10-18)7-4-8-19(16)13-15-5-2-1-3-6-15/h15,21H,1-14H2/p+1/t17-/m0/s1