2-[2,4-bis(fluoranyl)phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(2,4-difluorophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(2,4-difluorophenyl)-1-keto-N-(3-morpholin-4-ium-4-ylpropyl)isoquinoline-4-carboxamide Formula: C23H24F2N3O3+ MolecularWeight: 428.451766

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H23F2N3O3/c24-16-6-7-21(20(25)14-16)28-15-19(17-4-1-2-5-18(17)23(28)30)22(29)26-8-3-9-27-10-12-31-13-11-27/h1-2,4-7,14-15H,3,8-13H2,(H,26,29)/p+1