[(1S)-1-(4-methoxyphenyl)-2-[2-(2-methylphenyl)sulfanylethanoylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-methoxyphenyl)-2-[2-(2-methylphenyl)sulfanylethanoylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-methoxyphenyl)-2-[[2-(o-tolylsulfanyl)acetyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-methoxyphenyl)-2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-methoxyphenyl)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-methoxyphenyl)-2-[[2-(o-tolylthio)acetyl]amino]ethyl]-dimethyl-ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+](C)C

InChI

InChI=1S/C20H26N2O2S/c1-15-7-5-6-8-19(15)25-14-20(23)21-13-18(22(2)3)16-9-11-17(24-4)12-10-16/h5-12,18H,13-14H2,1-4H3,(H,21,23)/p+1/t18-/m1/s1