cyclohexyl-methyl-[[(3R)-3-oxidanyl-2-oxidanylidene-1-phenethyl-piperidin-3-yl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[(3R)-3-oxidanyl-2-oxidanylidene-1-phenethyl-piperidin-3-yl]methyl]azanium Openeye Name: cyclohexyl-[[(3R)-3-hydroxy-2-oxo-1-phenethyl-3-piperidyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[(3R)-3-hydroxy-2-oxo-1-phenethyl-3-piperidinyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[(3R)-3-hydroxy-2-oxo-1-phenethylpiperidin-3-yl]methyl]-methylazanium Traditional Name: cyclohexyl-[[(3R)-3-hydroxy-2-keto-1-phenethyl-3-piperidyl]methyl]-methyl-ammonium Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1(CCCN(C1=O)CCC2=CC=CC=C2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@]1(CCCN(C1=O)CCC2=CC=CC=C2)O)C3CCCCC3

InChI

InChI=1S/C21H32N2O2/c1-22(19-11-6-3-7-12-19)17-21(25)14-8-15-23(20(21)24)16-13-18-9-4-2-5-10-18/h2,4-5,9-10,19,25H,3,6-8,11-17H2,1H3/p+1/t21-/m1/s1