4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydroxy-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-7,8-dihydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydroxychromen-2-one Traditional Name: 7,8-dihydroxy-4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C22H23N2O6+ MolecularWeight: 411.42782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3O)O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3O)O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N2O6/c25-17-3-2-16-15(10-20(26)30-22(16)21(17)27)12-24-7-5-23(6-8-24)11-14-1-4-18-19(9-14)29-13-28-18/h1-4,9-10,25,27H,5-8,11-13H2/p+1