[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H22BrN2OS+ MolecularWeight: 394.34908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC)Br

InChI

InChI=1S/C18H21BrN2OS/c1-13-4-9-17(16(19)10-13)20-18(22)12-21(2)11-14-5-7-15(23-3)8-6-14/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1