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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (5-acetyl-2-ethoxy-benzyl)-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+](C)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+](C)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C21H26N2O3S/c1-5-26-19-11-10-16(15(2)24)12-17(19)13-23(3)14-21(25)22-18-8-6-7-9-20(18)27-4/h6-12H,5,13-14H2,1-4H3,(H,22,25)/p+1