2-azanyl-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-7,7-dimethyl-5-oxo-1-(3-pyridin-1-iumyl)-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-7,7-dimethyl-1-pyridin-1-ium-3-yl-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C24H22F3N4O+ MolecularWeight: 439.45289

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC=C(C=C4)C(F)(F)F)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC=C(C=C4)C(F)(F)F)C(=O)C1)C

InChI

InChI=1S/C24H21F3N4O/c1-23(2)10-18-21(19(32)11-23)20(14-5-7-15(8-6-14)24(25,26)27)17(12-28)22(29)31(18)16-4-3-9-30-13-16/h3-9,13,20H,10-11,29H2,1-2H3/p+1