1-(2-methyloctylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol hydrochloride

Systemtic Name: 1-(2-methyloctylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol hydrochloride Openeye Name: 1-(4-isopropylsulfanylphenoxy)-3-(2-methyloctylamino)propan-2-ol hydrochloride CAS Name: 1-(2-methyloctylamino)-3-[4-(propan-2-ylthio)phenoxy]-2-propanol hydrochloride IUPAC Name: 1-(2-methyloctylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol hydrochloride Traditional Name: 1-[4-(isopropylthio)phenoxy]-3-(2-methyloctylamino)propan-2-ol hydrochloride Formula: C21H38ClNO2S MolecularWeight: 404.04992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CNCC(COC1=CC=C(C=C1)SC(C)C)O.Cl

Isomeric SMILES

CCCCCCC(C)CNCC(COC1=CC=C(C=C1)SC(C)C)O.Cl

InChI

InChI=1S/C21H37NO2S.ClH/c1-5-6-7-8-9-18(4)14-22-15-19(23)16-24-20-10-12-21(13-11-20)25-17(2)3;/h10-13,17-19,22-23H,5-9,14-16H2,1-4H3;1H