2-[4-[2-(4-bromophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-(4-bromophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-[(4-bromophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-[(4-bromophenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C17H25BrN3O2S+ MolecularWeight: 415.3683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H24BrN3O2S/c1-2-7-19-16(22)12-20-8-10-21(11-9-20)17(23)13-24-15-5-3-14(18)4-6-15/h3-6H,2,7-13H2,1H3,(H,19,22)/p+1