(5-ethanoyl-2-methoxy-phenyl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-acetyl-2-methoxyphenyl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (5-acetyl-2-methoxy-benzyl)-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-14(23)15-9-10-18(25-3)16(11-15)12-22(2)13-20(24)21-17-7-5-6-8-19(17)26-4/h5-11H,12-13H2,1-4H3,(H,21,24)/p+1