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

Systemtic Name: [(3S)-1-(cyclohexylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-oxo-3-piperidyl]methyl]ammonium CAS Name: [(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: benzyl-[[(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-keto-3-piperidyl]methyl]ammonium Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCCC(C2=O)(C[NH2+]CC3=CC=CC=C3)O

Isomeric SMILES

C1CCC(CC1)CN2CCC[C@@](C2=O)(C[NH2+]CC3=CC=CC=C3)O

InChI

InChI=1S/C20H30N2O2/c23-19-20(24,16-21-14-17-8-3-1-4-9-17)12-7-13-22(19)15-18-10-5-2-6-11-18/h1,3-4,8-9,18,21,24H,2,5-7,10-16H2/p+1/t20-/m0/s1