2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-5-(4-pyridin-2-ylpiperazin-4-ium-1-yl)pentanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-5-(4-pyridin-2-ylpiperazin-4-ium-1-yl)pentanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-5-oxo-5-[4-(2-pyridyl)piperazin-4-ium-1-yl]pentanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-5-oxo-5-[4-(2-pyridinyl)-1-piperazin-4-iumyl]pentanoate IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-5-oxo-5-(4-pyridin-2-ylpiperazin-4-ium-1-yl)pentanoate Traditional Name: 5-keto-2-phthalimido-5-[4-(2-pyridyl)piperazin-4-ium-1-yl]valerate Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=CC=N2)C(=O)CCC(C(=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=CC=N2)C(=O)CCC(C(=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N4O5/c27-19(25-13-11-24(12-14-25)18-7-3-4-10-23-18)9-8-17(22(30)31)26-20(28)15-5-1-2-6-16(15)21(26)29/h1-7,10,17H,8-9,11-14H2,(H,30,31)