9-oxidanyl-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one

Systemtic Name: 9-oxidanyl-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one Openeye Name: 9-hydroxy-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one CAS Name: 9-hydroxy-4-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one IUPAC Name: 9-hydroxy-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one Traditional Name: 9-hydroxy-4-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one Formula: C22H24N5O4+ MolecularWeight: 422.45706

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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=NC=CC=N5

Isomeric SMILES

C1CC2=C(C(=O)OC3=C2C=C(C=C3)O)N(C1)C(=O)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H23N5O4/c28-15-4-5-18-17(13-15)16-3-1-8-27(20(16)21(30)31-18)19(29)14-25-9-11-26(12-10-25)22-23-6-2-7-24-22/h2,4-7,13,28H,1,3,8-12,14H2/p+1