8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-3-quinolin-2-yl-chromen-7-olate

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-3-quinolin-2-yl-chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3-(2-quinolyl)chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-oxo-3-(2-quinolinyl)-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3-quinolin-2-ylchromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-keto-3-(2-quinolyl)chromen-7-olate Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5C=C4)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5C=C4)[O-])CCO

InChI

InChI=1S/C25H25N3O4/c29-14-13-27-9-11-28(12-10-27)16-20-23(30)8-6-18-15-19(25(31)32-24(18)20)22-7-5-17-3-1-2-4-21(17)26-22/h1-8,15,29-30H,9-14,16H2