(2S,4S,6R)-2-(4-chloranylbutyl)-4-methyl-6-pentyl-1-phenyl-piperidine-2-carbonitrile

Systemtic Name: (2S,4S,6R)-2-(4-chloranylbutyl)-4-methyl-6-pentyl-1-phenyl-piperidine-2-carbonitrile Openeye Name: (2S,4S,6R)-2-(4-chlorobutyl)-4-methyl-6-pentyl-1-phenyl-piperidine-2-carbonitrile CAS Name: (2S,4S,6R)-2-(4-chlorobutyl)-4-methyl-6-pentyl-1-phenyl-2-piperidinecarbonitrile IUPAC Name: (2S,4S,6R)-2-(4-chlorobutyl)-4-methyl-6-pentyl-1-phenylpiperidine-2-carbonitrile Traditional Name: (2S,4S,6R)-6-amyl-2-(4-chlorobutyl)-4-methyl-1-phenyl-pipecolinonitrile Formula: C22H33ClN2 MolecularWeight: 360.96382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(CC(N1C2=CC=CC=C2)(CCCCCl)C#N)C

Isomeric SMILES

CCCCC[C@@H]1C[C@@H](C[C@@](N1C2=CC=CC=C2)(CCCCCl)C#N)C

InChI

InChI=1S/C22H33ClN2/c1-3-4-6-13-21-16-19(2)17-22(18-24,14-9-10-15-23)25(21)20-11-7-5-8-12-20/h5,7-8,11-12,19,21H,3-4,6,9-10,13-17H2,1-2H3/t19-,21+,22-/m0/s1