4-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-(6-chloro-2-oxo-chromen-3-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 4-(6-chloro-2-oxo-1-benzopyran-3-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-(6-chloro-2-oxochromen-3-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 4-(6-chloro-2-keto-chromen-3-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C25H24ClN2O6+ MolecularWeight: 483.92086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)O)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)O)CCO

InChI

InChI=1S/C25H23ClN2O6/c26-16-1-4-22-15(11-16)12-19(25(32)33-22)18-13-23(31)34-24-17(18)2-3-21(30)20(24)14-28-7-5-27(6-8-28)9-10-29/h1-4,11-13,29-30H,5-10,14H2/p+1