tert-butyl-[[(3S)-3-oxidanyl-2-oxidanylidene-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]azanium

Systemtic Name: tert-butyl-[[(3S)-3-oxidanyl-2-oxidanylidene-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]azanium Openeye Name: tert-butyl-[[(3S)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-2-oxo-3-piperidyl]methyl]ammonium CAS Name: tert-butyl-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]-3-piperidinyl]methyl]ammonium IUPAC Name: tert-butyl-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]azanium Traditional Name: tert-butyl-[[(3S)-3-hydroxy-1-(4-isopropylbenzyl)-2-keto-3-piperidyl]methyl]ammonium Formula: C20H33N2O2+ MolecularWeight: 333.48822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O2/c1-15(2)17-9-7-16(8-10-17)13-22-12-6-11-20(24,18(22)23)14-21-19(3,4)5/h7-10,15,21,24H,6,11-14H2,1-5H3/p+1/t20-/m0/s1