2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: homoveratryl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C20H26N2O3S/c1-22(12-11-15-9-10-17(24-2)18(13-15)25-3)14-20(23)21-16-7-5-6-8-19(16)26-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)/p+1