[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C16H20BrN2OS2+ MolecularWeight: 400.3768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H19BrN2OS2/c1-19(11-15-3-2-9-21-15)12-16(20)18-8-10-22-14-6-4-13(17)5-7-14/h2-7,9H,8,10-12H2,1H3,(H,18,20)/p+1