1-(3-chlorophenyl)-2-[1-(4-heptylsulfanylphenyl)propan-2-ylamino]ethanol hydrobromide

Systemtic Name: 1-(3-chlorophenyl)-2-[1-(4-heptylsulfanylphenyl)propan-2-ylamino]ethanol hydrobromide Openeye Name: 1-(3-chlorophenyl)-2-[[2-(4-heptylsulfanylphenyl)-1-methyl-ethyl]amino]ethanol hydrobromide CAS Name: 1-(3-chlorophenyl)-2-[1-[4-(heptylthio)phenyl]propan-2-ylamino]ethanol hydrobromide IUPAC Name: 1-(3-chlorophenyl)-2-[1-(4-heptylsulfanylphenyl)propan-2-ylamino]ethanol hydrobromide Traditional Name: 1-(3-chlorophenyl)-2-[[2-[4-(heptylthio)phenyl]-1-methyl-ethyl]amino]ethanol hydrobromide Formula: C24H35BrClNOS MolecularWeight: 500.9628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC=C(C=C1)CC(C)NCC(C2=CC(=CC=C2)Cl)O.Br

Isomeric SMILES

CCCCCCCSC1=CC=C(C=C1)CC(C)NCC(C2=CC(=CC=C2)Cl)O.Br

InChI

InChI=1S/C24H34ClNOS.BrH/c1-3-4-5-6-7-15-28-23-13-11-20(12-14-23)16-19(2)26-18-24(27)21-9-8-10-22(25)17-21;/h8-14,17,19,24,26-27H,3-7,15-16,18H2,1-2H3;1H