4-azanyl-6-methoxy-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]quinolin-1-ium-3-carbonitrile

Systemtic Name: 4-azanyl-6-methoxy-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]quinolin-1-ium-3-carbonitrile Openeye Name: 4-amino-6-methoxy-2-(1,1,2,2,2-pentafluoroethyl)quinolin-1-ium-3-carbonitrile CAS Name: 4-amino-6-methoxy-2-(1,1,2,2,2-pentafluoroethyl)-3-quinolin-1-iumcarbonitrile IUPAC Name: 4-amino-6-methoxy-2-(1,1,2,2,2-pentafluoroethyl)quinolin-1-ium-3-carbonitrile Traditional Name: 4-amino-6-methoxy-2-(1,1,2,2,2-pentafluoroethyl)quinolin-1-ium-3-carbonitrile Formula: C13H9F5N3O+ MolecularWeight: 318.222076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[NH+]=C(C(=C2N)C#N)C(C(F)(F)F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)[NH+]=C(C(=C2N)C#N)C(C(F)(F)F)(F)F

InChI

InChI=1S/C13H8F5N3O/c1-22-6-2-3-9-7(4-6)10(20)8(5-19)11(21-9)12(14,15)13(16,17)18/h2-4H,1H3,(H2,20,21)/p+1