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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-[(1-oxidanidylpyridin-1-ium-2-yl)methylamino]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-[(1-oxidopyridin-1-ium-2-yl)methylamino]quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-[(1-oxido-2-pyridin-1-iumyl)methylamino]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-[(1-oxidopyridin-1-ium-2-yl)methylamino]quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-[(1-oxidopyridin-1-ium-2-yl)methylamino]quinoline-3-carbonitrile Formula: C22H15ClFN5O MolecularWeight: 419.838803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CNC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=C(C=C4)F)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)CNC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=C(C=C4)F)Cl)[O-]

InChI

InChI=1S/C22H15ClFN5O/c23-19-10-16(4-6-20(19)24)28-22-14(11-25)12-27-21-7-5-15(9-18(21)22)26-13-17-3-1-2-8-29(17)30/h1-10,12,26H,13H2,(H,27,28)