5-azanyl-7-pyridin-1-ium-3-yl-2-(trifluoromethyl)-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile

Systemtic Name: 5-azanyl-7-pyridin-1-ium-3-yl-2-(trifluoromethyl)-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile Openeye Name: 5-amino-7-pyridin-1-ium-3-yl-2-(trifluoromethyl)-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile CAS Name: 5-amino-7-(3-pyridin-1-iumyl)-2-(trifluoromethyl)-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile IUPAC Name: 5-amino-7-pyridin-1-ium-3-yl-2-(trifluoromethyl)-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile Traditional Name: 5-amino-7-pyridin-1-ium-3-yl-2-(trifluoromethyl)-1,7-dihydropyran[2,3-d]imidazol-3-ium-6-carbonitrile Formula: C13H10F3N5O+2 MolecularWeight: 309.24661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)C2C(=C(OC3=C2NC(=[NH+]3)C(F)(F)F)N)C#N

Isomeric SMILES

C1=CC(=C[NH+]=C1)C2C(=C(OC3=C2NC(=[NH+]3)C(F)(F)F)N)C#N

InChI

InChI=1S/C13H8F3N5O/c14-13(15,16)12-20-9-8(6-2-1-3-19-5-6)7(4-17)10(18)22-11(9)21-12/h1-3,5,8H,18H2,(H,20,21)/p+2