[(3R)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-methyl-(quinolin-5-ylmethyl)azanium

Systemtic Name: [(3R)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-methyl-(quinolin-5-ylmethyl)azanium Openeye Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-methyl-(5-quinolylmethyl)ammonium CAS Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-methyl-(5-quinolinylmethyl)ammonium IUPAC Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methyl-(quinolin-5-ylmethyl)azanium Traditional Name: [(3R)-3-hydroxy-2-keto-1-neopentyl-3-piperidyl]methyl-methyl-(5-quinolylmethyl)ammonium Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(C[NH+](C)CC2=C3C=CC=NC3=CC=C2)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@](C1=O)(C[NH+](C)CC2=C3C=CC=NC3=CC=C2)O

InChI

InChI=1S/C22H31N3O2/c1-21(2,3)15-25-13-7-11-22(27,20(25)26)16-24(4)14-17-8-5-10-19-18(17)9-6-12-23-19/h5-6,8-10,12,27H,7,11,13-16H2,1-4H3/p+1/t22-/m1/s1