4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol hydrochloride

Systemtic Name: 4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol hydrochloride Openeye Name: 4-[1-hydroxy-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethyl]-2-methylsulfanyl-phenol hydrochloride CAS Name: 4-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-(methylthio)phenol hydrochloride IUPAC Name: 4-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-methylsulfanylphenol hydrochloride Traditional Name: 4-[1-hydroxy-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethyl]-2-(methylthio)phenol hydrochloride Formula: C20H28ClNO3S MolecularWeight: 397.95922

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)SC)O.Cl

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)SC)O.Cl

InChI

InChI=1S/C20H27NO3S.ClH/c1-14(4-5-15-6-9-17(24-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)25-3;/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H