[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

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