cyclohexyl-[[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH2+]C3CCCCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH2+]C3CCCCC3)O

InChI

InChI=1S/C20H30N2O2/c1-16-7-5-8-17(13-16)14-22-12-6-11-20(24,19(22)23)15-21-18-9-3-2-4-10-18/h5,7-8,13,18,21,24H,2-4,6,9-12,14-15H2,1H3/p+1/t20-/m0/s1