4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-7-oxidanyl-2-oxidanylidene-chromen-8-olate

Systemtic Name: 4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-7-oxidanyl-2-oxidanylidene-chromen-8-olate Openeye Name: 4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-2-oxo-chromen-8-olate CAS Name: 4-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-7-hydroxy-2-oxo-1-benzopyran-8-olate IUPAC Name: 4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-2-oxochromen-8-olate Traditional Name: 4-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]-7-hydroxy-2-keto-chromen-8-olate Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3[O-])O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3[O-])O

InChI

InChI=1S/C17H20N2O6/c1-2-24-17(23)19-7-5-18(6-8-19)10-11-9-14(21)25-16-12(11)3-4-13(20)15(16)22/h3-4,9,20,22H,2,5-8,10H2,1H3