5-oxidanylidene-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-9-olate

Systemtic Name: 5-oxidanylidene-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-9-olate Openeye Name: 5-oxo-4-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-9-olate CAS Name: 5-oxo-4-[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-9-olate IUPAC Name: 5-oxo-4-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-9-olate Traditional Name: 5-keto-4-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-9-olate Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)OC3=C2C=C(C=C3)[O-])N(C1)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C(=O)OC3=C2C=C(C=C3)[O-])N(C1)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H25N3O4/c28-18-8-9-21-20(15-18)19-7-4-10-27(23(19)24(30)31-21)22(29)16-25-11-13-26(14-12-25)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,28H,4,7,10-14,16H2