4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 7-hydroxy-4-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C22H24N2O5+2 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C22H22N2O5/c25-17-2-3-18-16(10-22(26)29-20(18)11-17)13-24-7-5-23(6-8-24)12-15-1-4-19-21(9-15)28-14-27-19/h1-4,9-11,25H,5-8,12-14H2/p+2