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

Systemtic Name: 2-[4-[2-(2-chlorophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(2-chlorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-[(2-chlorophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(2-chlorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-[(2-chlorophenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C17H25ClN3O2S+ MolecularWeight: 370.9173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC=C2Cl

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC=C2Cl

InChI

InChI=1S/C17H24ClN3O2S/c1-2-7-19-16(22)12-20-8-10-21(11-9-20)17(23)13-24-15-6-4-3-5-14(15)18/h3-6H,2,7-13H2,1H3,(H,19,22)/p+1