methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

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