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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-chlorophenyl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-chlorophenyl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-(4-chlorophenyl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-chlorophenyl)butane-1,4-dione Traditional Name: 1-(4-chlorophenyl)-4-(4-piperonylpiperazin-4-ium-1-yl)butane-1,4-dione Formula: C22H24ClN2O4+ MolecularWeight: 415.88996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2O4/c23-18-4-2-17(3-5-18)19(26)6-8-22(27)25-11-9-24(10-12-25)14-16-1-7-20-21(13-16)29-15-28-20/h1-5,7,13H,6,8-12,14-15H2/p+1