2-[1,3-bis(oxidanylidene)-2-piperidin-1-yl-isoindol-2-ium-2-yl]carbonylbenzoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)-2-piperidin-1-yl-isoindol-2-ium-2-yl]carbonylbenzoic acid Openeye Name: 2-[1,3-dioxo-2-(1-piperidyl)isoindolin-2-ium-2-carbonyl]benzoic acid CAS Name: 2-[[1,3-dioxo-2-(1-piperidinyl)-2-isoindol-2-iumyl]-oxomethyl]benzoic acid IUPAC Name: 2-(1,3-dioxo-2-piperidin-1-ylisoindol-2-ium-2-carbonyl)benzoic acid Traditional Name: 2-(1,3-diketo-2-piperidino-isoindolin-2-ium-2-carbonyl)benzoic acid Formula: C21H19N2O5+ MolecularWeight: 379.38596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)[N+]2(C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CCN(CC1)[N+]2(C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H18N2O5/c24-18-14-8-2-3-9-15(14)19(25)23(18,22-12-6-1-7-13-22)20(26)16-10-4-5-11-17(16)21(27)28/h2-5,8-11H,1,6-7,12-13H2/p+1