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

Systemtic Name: (3S)-1-(cyclohexylmethyl)-3-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one Openeye Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one CAS Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(1-piperidin-1-iumylmethyl)-2-piperidinone IUPAC Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one Traditional Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-(piperidin-1-ium-1-ylmethyl)-2-piperidone Formula: C18H33N2O2+ MolecularWeight: 309.46682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCCC(C2=O)(C[NH+]3CCCCC3)O

Isomeric SMILES

C1CCC(CC1)CN2CCC[C@@](C2=O)(C[NH+]3CCCCC3)O

InChI

InChI=1S/C18H32N2O2/c21-17-18(22,15-19-11-5-2-6-12-19)10-7-13-20(17)14-16-8-3-1-4-9-16/h16,22H,1-15H2/p+1/t18-/m0/s1