8-(azepan-1-ium-1-ylmethyl)-7-oxidanyl-4-(2-oxidanylidenechromen-3-yl)chromen-2-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-7-oxidanyl-4-(2-oxidanylidenechromen-3-yl)chromen-2-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-4-(2-oxochromen-3-yl)chromen-2-one CAS Name: 8-(1-azepan-1-iumylmethyl)-7-hydroxy-4-(2-oxo-1-benzopyran-3-yl)-1-benzopyran-2-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-4-(2-oxochromen-3-yl)chromen-2-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-4-(2-ketochromen-3-yl)coumarin Formula: C25H24NO5+ MolecularWeight: 418.46176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)O

InChI

InChI=1S/C25H23NO5/c27-21-10-9-17-18(19-13-16-7-3-4-8-22(16)30-25(19)29)14-23(28)31-24(17)20(21)15-26-11-5-1-2-6-12-26/h3-4,7-10,13-14,27H,1-2,5-6,11-12,15H2/p+1