4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride

Systemtic Name: 4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride Openeye Name: 4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride CAS Name: 4-(methylthio)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride IUPAC Name: 4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride Traditional Name: [4-(methylthio)phenyl]-(3,4,5-trimethoxybenzyl)amine hydrochloride Formula: C17H22ClNO3S MolecularWeight: 355.87948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)SC.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)SC.Cl

InChI

InChI=1S/C17H21NO3S.ClH/c1-19-15-9-12(10-16(20-2)17(15)21-3)11-18-13-5-7-14(22-4)8-6-13;/h5-10,18H,11H2,1-4H3;1H