7-oxidanyl-3-pyridin-1-ium-2-yl-2-(trifluoromethyl)chromen-4-one chloride hydrochloride

Systemtic Name: 7-oxidanyl-3-pyridin-1-ium-2-yl-2-(trifluoromethyl)chromen-4-one chloride hydrochloride Openeye Name: 7-hydroxy-3-pyridin-1-ium-2-yl-2-(trifluoromethyl)chromen-4-one chloride hydrochloride CAS Name: 7-hydroxy-3-(2-pyridin-1-iumyl)-2-(trifluoromethyl)-1-benzopyran-4-one chloride hydrochloride IUPAC Name: 7-hydroxy-3-pyridin-1-ium-2-yl-2-(trifluoromethyl)chromen-4-one chloride hydrochloride Traditional Name: 7-hydroxy-3-pyridin-1-ium-2-yl-2-(trifluoromethyl)chromone chloride hydrochloride Formula: C15H10Cl2F3NO3 MolecularWeight: 380.14601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)C2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F.Cl.[Cl-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)C2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F.Cl.[Cl-]

InChI

InChI=1S/C15H8F3NO3.2ClH/c16-15(17,18)14-12(10-3-1-2-6-19-10)13(21)9-5-4-8(20)7-11(9)22-14;;/h1-7,20H;2*1H