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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-3-pyridin-2-yl-chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3-(2-pyridyl)chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-oxo-3-(2-pyridinyl)-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3-pyridin-2-ylchromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-keto-3-(2-pyridyl)chromen-7-olate Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=CC=N4)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=CC=N4)[O-])CCO

InChI

InChI=1S/C21H23N3O4/c25-12-11-23-7-9-24(10-8-23)14-17-19(26)5-4-15-13-16(21(27)28-20(15)17)18-3-1-2-6-22-18/h1-6,13,25-26H,7-12,14H2