[2-[[2-(4-bromophenyl)sulfanylethanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[2-(4-bromophenyl)sulfanylethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[[2-(4-bromophenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[[2-(4-bromophenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[[2-[(4-bromophenyl)thio]acetyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C20H26BrN2OS+ MolecularWeight: 422.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H25BrN2OS/c1-3-23(4-2)14-17-8-6-5-7-16(17)13-22-20(24)15-25-19-11-9-18(21)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)/p+1