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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-chromen-7-olate Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-]

InChI

InChI=1S/C24H25NO5/c26-20-7-6-17-23(27)19(16-5-8-21-22(13-16)29-12-11-28-21)15-30-24(17)18(20)14-25-9-3-1-2-4-10-25/h5-8,13,15,26H,1-4,9-12,14H2