[4-[[2-(3,4-dimethylphenyl)sulfanylethanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[2-(3,4-dimethylphenyl)sulfanylethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C22H31N2OS+ MolecularWeight: 371.55934

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CSC2=CC(=C(C=C2)C)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CSC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C22H30N2OS/c1-5-24(6-2)15-20-10-8-19(9-11-20)14-23-22(25)16-26-21-12-7-17(3)18(4)13-21/h7-13H,5-6,14-16H2,1-4H3,(H,23,25)/p+1