(4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]azanium Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]-[(4-bromophenyl)methyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]ammonium IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl]-[(4-bromophenyl)methyl]-methylazanium Traditional Name: [2-[2-(benzylthio)ethylamino]-2-keto-ethyl]-(4-bromobenzyl)-methyl-ammonium Formula: C19H24BrN2OS+ MolecularWeight: 408.37566

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C19H23BrN2OS/c1-22(13-16-7-9-18(20)10-8-16)14-19(23)21-11-12-24-15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,23)/p+1