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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]-N-(4-chlorophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]-N-(4-chlorophenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-1-piperazin-1-iumyl]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]-N-(4-chlorophenyl)acetamide Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c20-14-1-3-15(4-2-14)21-19(24)12-22-7-9-23(10-8-22)16-5-6-17-18(11-16)26-13-25-17/h1-6,11H,7-10,12-13H2,(H,21,24)/p+1