4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-6-olate

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-6-olate Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-6-olate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-6-olate IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-6-olate Traditional Name: 2-keto-4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]chromen-6-olate Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)[O-])CC4=CC5=C(C=C4)OCO5

InChI

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