8-(azepan-1-ium-1-ylmethyl)-4-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-7-oxidanyl-chromen-2-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-4-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-7-oxidanyl-chromen-2-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-4-(6-chloro-2-oxo-chromen-3-yl)-7-hydroxy-chromen-2-one CAS Name: 8-(1-azepan-1-iumylmethyl)-4-(6-chloro-2-oxo-1-benzopyran-3-yl)-7-hydroxy-1-benzopyran-2-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-4-(6-chloro-2-oxochromen-3-yl)-7-hydroxychromen-2-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-4-(6-chloro-2-keto-chromen-3-yl)-7-hydroxy-coumarin Formula: C25H23ClNO5+ MolecularWeight: 452.90682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)O

InChI

InChI=1S/C25H22ClNO5/c26-16-5-8-22-15(11-16)12-19(25(30)31-22)18-13-23(29)32-24-17(18)6-7-21(28)20(24)14-27-9-3-1-2-4-10-27/h5-8,11-13,28H,1-4,9-10,14H2/p+1