1-(2-methylsulfanylphenoxy)-3-(octylamino)propan-2-ol hydrochloride

Systemtic Name: 1-(2-methylsulfanylphenoxy)-3-(octylamino)propan-2-ol hydrochloride Openeye Name: 1-(2-methylsulfanylphenoxy)-3-(octylamino)propan-2-ol hydrochloride CAS Name: 1-[2-(methylthio)phenoxy]-3-(octylamino)-2-propanol hydrochloride IUPAC Name: 1-(2-methylsulfanylphenoxy)-3-(octylamino)propan-2-ol hydrochloride Traditional Name: 1-[2-(methylthio)phenoxy]-3-(octylamino)propan-2-ol hydrochloride Formula: C18H32ClNO2S MolecularWeight: 361.97018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC(COC1=CC=CC=C1SC)O.Cl

Isomeric SMILES

CCCCCCCCNCC(COC1=CC=CC=C1SC)O.Cl

InChI

InChI=1S/C18H31NO2S.ClH/c1-3-4-5-6-7-10-13-19-14-16(20)15-21-17-11-8-9-12-18(17)22-2;/h8-9,11-12,16,19-20H,3-7,10,13-15H2,1-2H3;1H