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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: N-(2-chlorophenyl)-2-(4-piperonyloylpiperazin-1-ium-1-yl)acetamide Formula: C20H21ClN3O4+ MolecularWeight: 402.85144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20ClN3O4/c21-15-3-1-2-4-16(15)22-19(25)12-23-7-9-24(10-8-23)20(26)14-5-6-17-18(11-14)28-13-27-17/h1-6,11H,7-10,12-13H2,(H,22,25)/p+1