2-azanyl-6-[4-[3-(trifluoromethyl)phenoxy]phenyl]pyridin-1-ium-3,4,5-tricarbonitrile

Systemtic Name: 2-azanyl-6-[4-[3-(trifluoromethyl)phenoxy]phenyl]pyridin-1-ium-3,4,5-tricarbonitrile Openeye Name: 2-amino-6-[4-[3-(trifluoromethyl)phenoxy]phenyl]pyridin-1-ium-3,4,5-tricarbonitrile CAS Name: 2-amino-6-[4-[3-(trifluoromethyl)phenoxy]phenyl]pyridin-1-ium-3,4,5-tricarbonitrile IUPAC Name: 2-amino-6-[4-[3-(trifluoromethyl)phenoxy]phenyl]pyridin-1-ium-3,4,5-tricarbonitrile Traditional Name: 2-amino-6-[4-[3-(trifluoromethyl)phenoxy]phenyl]pyridin-1-ium-3,4,5-tricarbonitrile Formula: C21H11F3N5O+ MolecularWeight: 406.34015

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=C(C=C2)C3=[NH+]C(=C(C(=C3C#N)C#N)C#N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)C3=[NH+]C(=C(C(=C3C#N)C#N)C#N)N)C(F)(F)F

InChI

InChI=1S/C21H10F3N5O/c22-21(23,24)13-2-1-3-15(8-13)30-14-6-4-12(5-7-14)19-17(10-26)16(9-25)18(11-27)20(28)29-19/h1-8H,(H2,28,29)/p+1