4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-2-oxidanylidene-chromen-7-olate Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-2-oxo-chromen-7-olate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-6-ethyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-2-oxochromen-7-olate Traditional Name: 6-ethyl-2-keto-4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[O-]

InChI

InChI=1S/C24H26N2O5/c1-2-17-10-19-18(11-24(28)31-22(19)12-20(17)27)14-26-7-5-25(6-8-26)13-16-3-4-21-23(9-16)30-15-29-21/h3-4,9-12,27H,2,5-8,13-15H2,1H3