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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N2O5/c25-22(6-3-16-1-4-18-20(11-16)28-14-26-18)24-9-7-23(8-10-24)13-17-2-5-19-21(12-17)29-15-27-19/h1-2,4-5,11-12H,3,6-10,13-15H2/p+1