2-(4-fluorophenyl)-1,3-bis(oxidanylidene)-N-(1-propylpiperidin-1-ium-4-yl)isoindole-5-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-1,3-bis(oxidanylidene)-N-(1-propylpiperidin-1-ium-4-yl)isoindole-5-carboxamide Openeye Name: 2-(4-fluorophenyl)-1,3-dioxo-N-(1-propylpiperidin-1-ium-4-yl)isoindoline-5-carboxamide CAS Name: 2-(4-fluorophenyl)-1,3-dioxo-N-(1-propyl-4-piperidin-1-iumyl)-5-isoindolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-1,3-dioxo-N-(1-propylpiperidin-1-ium-4-yl)isoindole-5-carboxamide Traditional Name: 2-(4-fluorophenyl)-1,3-diketo-N-(1-propylpiperidin-1-ium-4-yl)isoindoline-5-carboxamide Formula: C23H25FN3O3+ MolecularWeight: 410.461303

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN3O3/c1-2-11-26-12-9-17(10-13-26)25-21(28)15-3-8-19-20(14-15)23(30)27(22(19)29)18-6-4-16(24)5-7-18/h3-8,14,17H,2,9-13H2,1H3,(H,25,28)/p+1