8-chloranyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-[(1-oxidanidylpyridin-1-ium-2-yl)methylamino]quinoline-3-carbonitrile

Systemtic Name: 8-chloranyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-[(1-oxidanidylpyridin-1-ium-2-yl)methylamino]quinoline-3-carbonitrile Openeye Name: 8-chloro-4-(3-chloro-4-fluoro-anilino)-6-[(1-oxidopyridin-1-ium-2-yl)methylamino]quinoline-3-carbonitrile CAS Name: 8-chloro-4-(3-chloro-4-fluoroanilino)-6-[(1-oxido-2-pyridin-1-iumyl)methylamino]-3-quinolinecarbonitrile IUPAC Name: 8-chloro-4-(3-chloro-4-fluoroanilino)-6-[(1-oxidopyridin-1-ium-2-yl)methylamino]quinoline-3-carbonitrile Traditional Name: 8-chloro-4-(3-chloro-4-fluoro-anilino)-6-[(1-oxidopyridin-1-ium-2-yl)methylamino]quinoline-3-carbonitrile Formula: C22H14Cl2FN5O MolecularWeight: 454.283863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CNC2=CC(=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)F)Cl)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)CNC2=CC(=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)F)Cl)Cl)[O-]

InChI

InChI=1S/C22H14Cl2FN5O/c23-18-8-14(4-5-20(18)25)29-21-13(10-26)11-28-22-17(21)7-15(9-19(22)24)27-12-16-3-1-2-6-30(16)31/h1-9,11,27H,12H2,(H,28,29)