[2-[[2-(2,5-dimethylphenyl)sulfanylethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[2-(2,5-dimethylphenyl)sulfanylethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NCC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NCC2=CC=CC=C2C[NH+](C)C

InChI

InChI=1S/C20H26N2OS/c1-15-9-10-16(2)19(11-15)24-14-20(23)21-12-17-7-5-6-8-18(17)13-22(3)4/h5-11H,12-14H2,1-4H3,(H,21,23)/p+1