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

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(3-bromoanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(3-bromoanilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H20BrN2OS+ MolecularWeight: 380.3225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H19BrN2OS/c1-20(11-13-6-8-16(22-2)9-7-13)12-17(21)19-15-5-3-4-14(18)10-15/h3-10H,11-12H2,1-2H3,(H,19,21)/p+1