2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H23ClN3O4+ MolecularWeight: 416.87802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)OCO2

InChI

InChI=1S/C21H22ClN3O4/c1-14(26)17-10-19-20(29-13-28-19)11-18(17)23-21(27)12-24-5-7-25(8-6-24)16-4-2-3-15(22)9-16/h2-4,9-11H,5-8,12-13H2,1H3,(H,23,27)/p+1