2-[2,4-bis(fluoranyl)phenyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(2,4-difluorophenyl)-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-1-keto-isoquinoline-4-carboxamide Formula: C23H24F2N3O2+ MolecularWeight: 412.452366

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H23F2N3O2/c1-2-27-11-5-6-16(27)13-26-22(29)19-14-28(21-10-9-15(24)12-20(21)25)23(30)18-8-4-3-7-17(18)19/h3-4,7-10,12,14,16H,2,5-6,11,13H2,1H3,(H,26,29)/p+1