1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one hydrobromide

Systemtic Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one hydrobromide Openeye Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)-4-piperidyl]propan-1-one hydrobromide CAS Name: 1-[1-methyl-4-[2-(phenylthio)phenyl]-4-piperidinyl]-1-propanone hydrobromide IUPAC Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one hydrobromide Traditional Name: 1-[1-methyl-4-[2-(phenylthio)phenyl]-4-piperidyl]propan-1-one hydrobromide Formula: C21H26BrNOS MolecularWeight: 420.40624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCN(CC1)C)C2=CC=CC=C2SC3=CC=CC=C3.Br

Isomeric SMILES

CCC(=O)C1(CCN(CC1)C)C2=CC=CC=C2SC3=CC=CC=C3.Br

InChI

InChI=1S/C21H25NOS.BrH/c1-3-20(23)21(13-15-22(2)16-14-21)18-11-7-8-12-19(18)24-17-9-5-4-6-10-17;/h4-12H,3,13-16H2,1-2H3;1H