[4-[[2-(4-ethoxyphenyl)sulfanylethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[2-(4-ethoxyphenyl)sulfanylethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[2-[(4-ethoxyphenyl)thio]-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: dimethyl-[4-[[[2-(p-phenetylthio)acetyl]amino]methyl]benzyl]ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C

InChI

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