3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one Traditional Name: 3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]chromone Formula: C22H24N2O4+2 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=COC5=CC=CC=C5C4=O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=COC5=CC=CC=C5C4=O

InChI

InChI=1S/C22H22N2O4/c25-22-17(14-26-19-4-2-1-3-18(19)22)13-24-9-7-23(8-10-24)12-16-5-6-20-21(11-16)28-15-27-20/h1-6,11,14H,7-10,12-13,15H2/p+2