methyl-[2-(3-methylphenoxy)ethyl]-[3-[(2-methylsulfanylphenyl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: methyl-[2-(3-methylphenoxy)ethyl]-[3-[(2-methylsulfanylphenyl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: methyl-[2-(3-methylphenoxy)ethyl]-[3-(2-methylsulfanylanilino)-3-oxo-propyl]ammonium CAS Name: methyl-[2-(3-methylphenoxy)ethyl]-[3-[2-(methylthio)anilino]-3-oxopropyl]ammonium IUPAC Name: methyl-[2-(3-methylphenoxy)ethyl]-[3-(2-methylsulfanylanilino)-3-oxopropyl]azanium Traditional Name: [3-keto-3-[2-(methylthio)anilino]propyl]-methyl-[2-(3-methylphenoxy)ethyl]ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+](C)CCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+](C)CCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C20H26N2O2S/c1-16-7-6-8-17(15-16)24-14-13-22(2)12-11-20(23)21-18-9-4-5-10-19(18)25-3/h4-10,15H,11-14H2,1-3H3,(H,21,23)/p+1