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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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