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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3,4-dichlorophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3,4-dichlorophenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(3,4-dichlorophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3,4-dichlorophenyl)acetamide Traditional Name: N-(3,4-dichlorophenyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C20H22Cl2N3O3+ MolecularWeight: 423.31298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)Cl)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)Cl)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21Cl2N3O3/c21-16-3-2-15(10-17(16)22)23-20(26)12-25-7-5-24(6-8-25)11-14-1-4-18-19(9-14)28-13-27-18/h1-4,9-10H,5-8,11-13H2,(H,23,26)/p+1