1-hexyl-3,4-dimethyl-4-[3-[2-(phenylmethylsulfanyl)-1H-imidazol-5-yl]phenyl]piperidine

Systemtic Name: 1-hexyl-3,4-dimethyl-4-[3-[2-(phenylmethylsulfanyl)-1H-imidazol-5-yl]phenyl]piperidine Openeye Name: 4-[3-(2-benzylsulfanyl-1H-imidazol-5-yl)phenyl]-1-hexyl-3,4-dimethyl-piperidine CAS Name: 1-hexyl-3,4-dimethyl-4-[3-[2-(phenylmethylthio)-1H-imidazol-5-yl]phenyl]piperidine IUPAC Name: 4-[3-(2-benzylsulfanyl-1H-imidazol-5-yl)phenyl]-1-hexyl-3,4-dimethylpiperidine Traditional Name: 4-[3-[2-(benzylthio)-1H-imidazol-5-yl]phenyl]-1-hexyl-3,4-dimethyl-piperidine Formula: C29H39N3S MolecularWeight: 461.70506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC=CC(=C2)C3=CN=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

CCCCCCN1CCC(C(C1)C)(C)C2=CC=CC(=C2)C3=CN=C(N3)SCC4=CC=CC=C4

InChI

InChI=1S/C29H39N3S/c1-4-5-6-10-17-32-18-16-29(3,23(2)21-32)26-15-11-14-25(19-26)27-20-30-28(31-27)33-22-24-12-8-7-9-13-24/h7-9,11-15,19-20,23H,4-6,10,16-18,21-22H2,1-3H3,(H,30,31)