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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=CC=C1SC)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=CC=C1SC)CC2=CC(=C(C=C2)OC)OC

InChI

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