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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(4-chlorophenyl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(4-chlorophenyl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-(4-chlorophenyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(4-chlorophenyl)ethanone Traditional Name: 1-(4-chlorophenyl)-2-(4-piperonylpiperazin-1-ium-1-yl)ethanone Formula: C20H22ClN2O3+ MolecularWeight: 373.85328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3/c21-17-4-2-16(3-5-17)18(24)13-23-9-7-22(8-10-23)12-15-1-6-19-20(11-15)26-14-25-19/h1-6,11H,7-10,12-14H2/p+1