3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-]

InChI

InChI=1S/C23H23NO5/c25-19-6-5-16-22(26)18(15-4-7-20-21(12-15)28-11-10-27-20)14-29-23(16)17(19)13-24-8-2-1-3-9-24/h4-7,12,14,25H,1-3,8-11,13H2