(4-bromophenyl)methyl-methyl-[3-[(2-methylsulfanylphenyl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[3-[(2-methylsulfanylphenyl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[3-(2-methylsulfanylanilino)-3-oxo-propyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[3-[2-(methylthio)anilino]-3-oxopropyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[3-(2-methylsulfanylanilino)-3-oxopropyl]azanium Traditional Name: (4-bromobenzyl)-[3-keto-3-[2-(methylthio)anilino]propyl]-methyl-ammonium Formula: C18H22BrN2OS+ MolecularWeight: 394.34908

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=CC=C1SC)CC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=CC=C1SC)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H21BrN2OS/c1-21(13-14-7-9-15(19)10-8-14)12-11-18(22)20-16-5-3-4-6-17(16)23-2/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1