(1R,2S)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol hydrochloride

Systemtic Name: (1R,2S)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol hydrochloride Openeye Name: (1R,2S)-1-(4-isopropylsulfanylphenyl)-2-(octylamino)propan-1-ol hydrochloride CAS Name: (1R,2S)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol hydrochloride IUPAC Name: (1R,2S)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol hydrochloride Traditional Name: (1R,2S)-1-[4-(isopropylthio)phenyl]-2-(octylamino)propan-1-ol hydrochloride Formula: C20H36ClNOS MolecularWeight: 374.02394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCN[C@@H](C)[C@@H](C1=CC=C(C=C1)SC(C)C)O.Cl

InChI

InChI=1S/C20H35NOS.ClH/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3;/h11-14,16-17,20-22H,5-10,15H2,1-4H3;1H/t17-,20-;/m0./s1