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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-4-(8-methoxy-2-oxidanylidene-chromen-3-yl)-7-oxidanyl-chromen-2-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-4-(8-methoxy-2-oxo-chromen-3-yl)chromen-2-one CAS Name: 8-(1-azepan-1-iumylmethyl)-7-hydroxy-4-(8-methoxy-2-oxo-1-benzopyran-3-yl)-1-benzopyran-2-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-4-(8-methoxy-2-oxochromen-3-yl)chromen-2-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-4-(2-keto-8-methoxy-chromen-3-yl)coumarin Formula: C26H26NO6+ MolecularWeight: 448.48774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C3=CC(=O)OC4=C3C=CC(=C4C[NH+]5CCCCCC5)O

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C3=CC(=O)OC4=C3C=CC(=C4C[NH+]5CCCCCC5)O

InChI

InChI=1S/C26H25NO6/c1-31-22-8-6-7-16-13-19(26(30)33-24(16)22)18-14-23(29)32-25-17(18)9-10-21(28)20(25)15-27-11-4-2-3-5-12-27/h6-10,13-14,28H,2-5,11-12,15H2,1H3/p+1