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

Systemtic Name: 4-azanyl-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-6-phenoxy-quinolin-1-ium-3-carbonitrile Openeye Name: 4-amino-2-(1,1,2,2,2-pentafluoroethyl)-6-phenoxy-quinolin-1-ium-3-carbonitrile CAS Name: 4-amino-2-(1,1,2,2,2-pentafluoroethyl)-6-phenoxy-3-quinolin-1-iumcarbonitrile IUPAC Name: 4-amino-2-(1,1,2,2,2-pentafluoroethyl)-6-phenoxyquinolin-1-ium-3-carbonitrile Traditional Name: 4-amino-2-(1,1,2,2,2-pentafluoroethyl)-6-phenoxy-quinolin-1-ium-3-carbonitrile Formula: C18H11F5N3O+ MolecularWeight: 380.291456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC3=C(C=C2)[NH+]=C(C(=C3N)C#N)C(C(F)(F)F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC3=C(C=C2)[NH+]=C(C(=C3N)C#N)C(C(F)(F)F)(F)F

InChI

InChI=1S/C18H10F5N3O/c19-17(20,18(21,22)23)16-13(9-24)15(25)12-8-11(6-7-14(12)26-16)27-10-4-2-1-3-5-10/h1-8H,(H2,25,26)/p+1