2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methylsulfanyl-4-oxidanyl-phenyl)ethanone hydrochloride

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methylsulfanyl-4-oxidanyl-phenyl)ethanone hydrochloride Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-hydroxy-3-methylsulfanyl-phenyl)ethanone hydrochloride CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-[4-hydroxy-3-(methylthio)phenyl]ethanone hydrochloride IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-hydroxy-3-methylsulfanylphenyl)ethanone hydrochloride Traditional Name: 2-(homoveratrylamino)-1-[4-hydroxy-3-(methylthio)phenyl]ethanone hydrochloride Formula: C19H24ClNO4S MolecularWeight: 397.91616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(=O)C2=CC(=C(C=C2)O)SC)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(=O)C2=CC(=C(C=C2)O)SC)OC.Cl

InChI

InChI=1S/C19H23NO4S.ClH/c1-23-17-7-4-13(10-18(17)24-2)8-9-20-12-16(22)14-5-6-15(21)19(11-14)25-3;/h4-7,10-11,20-21H,8-9,12H2,1-3H3;1H