N-[3,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C17H10F6N3O2+ MolecularWeight: 402.270619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC=C(C2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC=C(C2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H9F6N3O2/c18-16(19,20)9-5-10(17(21,22)23)7-11(6-9)25-14(27)12-8-24-13-3-1-2-4-26(13)15(12)28/h1-8H,(H,25,27)/p+1