3-[(3S,5R)-3,5-dimethyl-4-oxidanyl-piperidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[(3S,5R)-3,5-dimethyl-4-oxidanyl-piperidin-4-yl]benzenecarbonitrile Openeye Name: 3-[(3S,5R)-4-hydroxy-3,5-dimethyl-4-piperidyl]benzonitrile CAS Name: 3-[(3S,5R)-4-hydroxy-3,5-dimethyl-4-piperidinyl]benzonitrile IUPAC Name: 3-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-4-yl]benzonitrile Traditional Name: 3-[(3S,5R)-4-hydroxy-3,5-dimethyl-4-piperidyl]benzonitrile Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC(C1(C2=CC=CC(=C2)C#N)O)C

Isomeric SMILES

C[C@@H]1CNC[C@@H](C1(C2=CC=CC(=C2)C#N)O)C

InChI

InChI=1S/C14H18N2O/c1-10-8-16-9-11(2)14(10,17)13-5-3-4-12(6-13)7-15/h3-6,10-11,16-17H,8-9H2,1-2H3/t10-,11+,14?