4-(4-fluorophenyl)-7,7-dimethyl-2-methylidene-N-(3-methylpyridin-1-ium-2-yl)-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 4-(4-fluorophenyl)-7,7-dimethyl-2-methylidene-N-(3-methylpyridin-1-ium-2-yl)-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-(4-fluorophenyl)-7,7-dimethyl-2-methylene-N-(3-methylpyridin-1-ium-2-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-(4-fluorophenyl)-7,7-dimethyl-2-methylene-N-(3-methyl-2-pyridin-1-iumyl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-(4-fluorophenyl)-7,7-dimethyl-2-methylidene-N-(3-methylpyridin-1-ium-2-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-(4-fluorophenyl)-5-keto-7,7-dimethyl-2-methylene-N-(3-methylpyridin-1-ium-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C25H27FN3O2+ MolecularWeight: 420.499183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC=C1)NC(=O)C2C(C3=C(CC(CC3=O)(C)C)NC2=C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C([NH+]=CC=C1)NC(=O)C2C(C3=C(CC(CC3=O)(C)C)NC2=C)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O2/c1-14-6-5-11-27-23(14)29-24(31)20-15(2)28-18-12-25(3,4)13-19(30)22(18)21(20)16-7-9-17(26)10-8-16/h5-11,20-21,28H,2,12-13H2,1,3-4H3,(H,27,29,31)/p+1