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

Systemtic Name: [4-[[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C19H24BrN2OS+ MolecularWeight: 408.37566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C

InChI

InChI=1S/C19H23BrN2OS/c1-14-10-17(20)8-9-18(14)24-13-19(23)21-11-15-4-6-16(7-5-15)12-22(2)3/h4-10H,11-13H2,1-3H3,(H,21,23)/p+1