(3R,4S)-3-methyl-4-phenyl-piperidine-4-carboxylic acid hydrobromide

Systemtic Name: (3R,4S)-3-methyl-4-phenyl-piperidine-4-carboxylic acid hydrobromide Openeye Name: (3R,4S)-3-methyl-4-phenyl-piperidine-4-carboxylic acid hydrobromide CAS Name: (3R,4S)-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrobromide IUPAC Name: (3R,4S)-3-methyl-4-phenylpiperidine-4-carboxylic acid hydrobromide Traditional Name: (3R,4S)-3-methyl-4-phenyl-isonipecotic acid hydrobromide Formula: C13H18BrNO2 MolecularWeight: 300.19152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCC1(C2=CC=CC=C2)C(=O)O.Br

Isomeric SMILES

C[C@H]1CNCC[C@]1(C2=CC=CC=C2)C(=O)O.Br

InChI

InChI=1S/C13H17NO2.BrH/c1-10-9-14-8-7-13(10,12(15)16)11-5-3-2-4-6-11;/h2-6,10,14H,7-9H2,1H3,(H,15,16);1H/t10-,13-;/m0./s1