6-ethyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 6-ethyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-(trifluoromethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-(trifluoromethyl)chromone Formula: C20H16F3N2O3+ MolecularWeight: 389.34785

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=[N+](C4=CC=CC=C4N3)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=[N+](C4=CC=CC=C4N3)C)O

InChI

InChI=1S/C20H15F3N2O3/c1-3-10-8-11-15(9-14(10)26)28-18(20(21,22)23)16(17(11)27)19-24-12-6-4-5-7-13(12)25(19)2/h4-9H,3H2,1-2H3,(H,26,27)/p+1