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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-2-oxo-chromen-7-olate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-8-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-2-oxochromen-7-olate Traditional Name: 2-keto-8-methyl-4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[O-]

InChI

InChI=1S/C23H24N2O5/c1-15-19(26)4-3-18-17(11-22(27)30-23(15)18)13-25-8-6-24(7-9-25)12-16-2-5-20-21(10-16)29-14-28-20/h2-5,10-11,26H,6-9,12-14H2,1H3