methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]azanium Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium Traditional Name: [2-(2-isopropylanilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H26N2OS/c1-15(2)18-7-5-6-8-19(18)21-20(23)14-22(3)13-16-9-11-17(24-4)12-10-16/h5-12,15H,13-14H2,1-4H3,(H,21,23)/p+1