1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-chloranylphenoxy)-2-methyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-chloranylphenoxy)-2-methyl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)-2-methyl-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(4-chlorophenoxy)-2-methyl-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H26ClN2O4+ MolecularWeight: 417.90584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-22(2,29-18-6-4-17(23)5-7-18)21(26)25-11-9-24(10-12-25)14-16-3-8-19-20(13-16)28-15-27-19/h3-8,13H,9-12,14-15H2,1-2H3/p+1