[2-[[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C20H26BrN2OS+ MolecularWeight: 422.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CC=CC=C2C[NH+](C)C

InChI

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