3-(dimethylamino)-1-(4-octylsulfanylphenyl)propan-1-one hydrochloride

Systemtic Name: 3-(dimethylamino)-1-(4-octylsulfanylphenyl)propan-1-one hydrochloride Openeye Name: 3-(dimethylamino)-1-(4-octylsulfanylphenyl)propan-1-one hydrochloride CAS Name: 3-(dimethylamino)-1-[4-(octylthio)phenyl]-1-propanone hydrochloride IUPAC Name: 3-(dimethylamino)-1-(4-octylsulfanylphenyl)propan-1-one hydrochloride Traditional Name: 3-(dimethylamino)-1-[4-(octylthio)phenyl]propan-1-one hydrochloride Formula: C19H32ClNOS MolecularWeight: 357.98148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)C(=O)CCN(C)C.Cl

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)C(=O)CCN(C)C.Cl

InChI

InChI=1S/C19H31NOS.ClH/c1-4-5-6-7-8-9-16-22-18-12-10-17(11-13-18)19(21)14-15-20(2)3;/h10-13H,4-9,14-16H2,1-3H3;1H