2-(3-morpholin-4-ium-4-ylpropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-(3-morpholin-4-ium-4-ylpropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(3-morpholin-4-ium-4-ylpropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[3-(4-morpholin-4-iumyl)propyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(3-morpholin-4-ium-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-morpholin-4-ium-4-ylpropyl)isoindoline-5-carboxylate Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O5/c19-14-12-3-2-11(16(21)22)10-13(12)15(20)18(14)5-1-4-17-6-8-23-9-7-17/h2-3,10H,1,4-9H2,(H,21,22)