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

Systemtic Name: 2-azanyl-6-methoxy-4-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-methoxy-4-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-methoxy-4-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-methoxy-4-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-methoxy-4-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3,5-dicarbonitrile Formula: C15H10F3N4O+ MolecularWeight: 319.26131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

COC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C15H9F3N4O/c1-23-14-11(7-20)12(10(6-19)13(21)22-14)8-3-2-4-9(5-8)15(16,17)18/h2-5H,1H3,(H2,21,22)/p+1