3,3-dimethyl-1-(phenylcarbonyl)piperidine-2-carboxylate; [(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: 3,3-dimethyl-1-(phenylcarbonyl)piperidine-2-carboxylate; [(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: 1-benzoyl-3,3-dimethyl-piperidine-2-carboxylate; [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium CAS Name: 1-benzoyl-3,3-dimethyl-2-piperidinecarboxylate; [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]ammonium IUPAC Name: 1-benzoyl-3,3-dimethylpiperidine-2-carboxylate; [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium Traditional Name: 1-benzoyl-3,3-dimethyl-pipecolinate; [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH3+].CC1(CCCN(C1C(=O)[O-])C(=O)C2=CC=CC=C2)C

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)[NH3+].CC1(CCCN(C1C(=O)[O-])C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C15H19NO3.C9H13NO/c1-15(2)9-6-10-16(12(15)14(18)19)13(17)11-7-4-3-5-8-11;1-7(10)9(11)8-5-3-2-4-6-8/h3-5,7-8,12H,6,9-10H2,1-2H3,(H,18,19);2-7,9,11H,10H2,1H3/t;7-,9-/m.0/s1