3-methyl-3-(octylamino)-1-(4-propan-2-ylsulfanylphenoxy)butan-2-ol hydrochloride

Systemtic Name: 3-methyl-3-(octylamino)-1-(4-propan-2-ylsulfanylphenoxy)butan-2-ol hydrochloride Openeye Name: 1-(4-isopropylsulfanylphenoxy)-3-methyl-3-(octylamino)butan-2-ol hydrochloride CAS Name: 3-methyl-3-(octylamino)-1-[4-(propan-2-ylthio)phenoxy]-2-butanol hydrochloride IUPAC Name: 3-methyl-3-(octylamino)-1-(4-propan-2-ylsulfanylphenoxy)butan-2-ol hydrochloride Traditional Name: 1-[4-(isopropylthio)phenoxy]-3-methyl-3-(octylamino)butan-2-ol hydrochloride Formula: C22H40ClNO2S MolecularWeight: 418.0765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(C)(C)C(COC1=CC=C(C=C1)SC(C)C)O.Cl

Isomeric SMILES

CCCCCCCCNC(C)(C)C(COC1=CC=C(C=C1)SC(C)C)O.Cl

InChI

InChI=1S/C22H39NO2S.ClH/c1-6-7-8-9-10-11-16-23-22(4,5)21(24)17-25-19-12-14-20(15-13-19)26-18(2)3;/h12-15,18,21,23-24H,6-11,16-17H2,1-5H3;1H