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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2,6-dimethyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-4-keto-chromen-7-olate Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-])C

Isomeric SMILES

CC1CCCC([NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-])C

InChI

InChI=1S/C25H27NO5/c1-15-4-3-5-16(2)26(15)13-19-21(27)8-7-18-24(28)20(14-31-25(18)19)17-6-9-22-23(12-17)30-11-10-29-22/h6-9,12,14-16,27H,3-5,10-11,13H2,1-2H3