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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxychromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-chromone Formula: C24H26NO5+ MolecularWeight: 408.46694

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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/p+1