2-[[6-fluoranyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[6-fluoranyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[6-fluoro-2-(1-methyl-2-pyrrolyl)-4-quinolinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C19H22FN4O+ MolecularWeight: 341.402583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)NCC[NH+](C)C

Isomeric SMILES

CN1C=CC=C1C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C19H21FN4O/c1-23(2)10-8-21-19(25)15-12-17(18-5-4-9-24(18)3)22-16-7-6-13(20)11-14(15)16/h4-7,9,11-12H,8,10H2,1-3H3,(H,21,25)/p+1