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

Systemtic Name: 1-[1-phenethyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one hydrobromide Openeye Name: 1-[1-phenethyl-4-(2-phenylsulfanylphenyl)-4-piperidyl]propan-1-one hydrobromide CAS Name: 1-[1-phenethyl-4-[2-(phenylthio)phenyl]-4-piperidinyl]-1-propanone hydrobromide IUPAC Name: 1-[1-phenethyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one hydrobromide Traditional Name: 1-[1-phenethyl-4-[2-(phenylthio)phenyl]-4-piperidyl]propan-1-one hydrobromide Formula: C28H32BrNOS MolecularWeight: 510.52878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3SC4=CC=CC=C4.Br

Isomeric SMILES

CCC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3SC4=CC=CC=C4.Br

InChI

InChI=1S/C28H31NOS.BrH/c1-2-27(30)28(18-21-29(22-19-28)20-17-23-11-5-3-6-12-23)25-15-9-10-16-26(25)31-24-13-7-4-8-14-24;/h3-16H,2,17-22H2,1H3;1H