N-[(5-tert-butyl-2-methylsulfanyl-phenyl)methyl]-2-phenyl-piperidin-3-amine dihydrochloride

Systemtic Name: N-[(5-tert-butyl-2-methylsulfanyl-phenyl)methyl]-2-phenyl-piperidin-3-amine dihydrochloride Openeye Name: N-[(5-tert-butyl-2-methylsulfanyl-phenyl)methyl]-2-phenyl-piperidin-3-amine dihydrochloride CAS Name: N-[[5-tert-butyl-2-(methylthio)phenyl]methyl]-2-phenyl-3-piperidinamine dihydrochloride IUPAC Name: N-[(5-tert-butyl-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine dihydrochloride Traditional Name: [5-tert-butyl-2-(methylthio)benzyl]-(2-phenyl-3-piperidyl)amine dihydrochloride Formula: C23H34Cl2N2S MolecularWeight: 441.50046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)SC)CNC2CCCNC2C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)SC)CNC2CCCNC2C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C23H32N2S.2ClH/c1-23(2,3)19-12-13-21(26-4)18(15-19)16-25-20-11-8-14-24-22(20)17-9-6-5-7-10-17;;/h5-7,9-10,12-13,15,20,22,24-25H,8,11,14,16H2,1-4H3;2*1H