(4-methoxyphenyl)methyl-methyl-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-methyl-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl]ammonium CAS Name: (4-methoxyphenyl)methyl-methyl-[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-methyl-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl]-methyl-p-anisyl-ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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