2-azanyl-1-[2,6-bis(fluoranyl)phenyl]-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-[2,6-bis(fluoranyl)phenyl]-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-(3-pyridin-1-iumyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(2,6-difluorophenyl)-5-keto-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H17F2N4O+ MolecularWeight: 379.382686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=C(C=CC=C3F)F)N)C#N)C4=C[NH+]=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=C(C=CC=C3F)F)N)C#N)C4=C[NH+]=CC=C4)C(=O)C1

InChI

InChI=1S/C21H16F2N4O/c22-14-5-1-6-15(23)20(14)27-16-7-2-8-17(28)19(16)18(13(10-24)21(27)25)12-4-3-9-26-11-12/h1,3-6,9,11,18H,2,7-8,25H2/p+1