3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-chromen-7-olate Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-]

InChI

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