3-(4-chloranyl-3-methyl-phenoxy)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-chloranyl-3-methyl-phenoxy)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-chloro-3-methyl-phenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-chloro-3-methylphenoxy)-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-chloro-3-methylphenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-chloro-3-methyl-phenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromone Formula: C22H20ClF3NO5+ MolecularWeight: 470.84611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O)C(F)(F)F)Cl

InChI

InChI=1S/C22H19ClF3NO5/c1-12-10-13(2-4-16(12)23)31-20-18(29)14-3-5-17(28)15(11-27-6-8-30-9-7-27)19(14)32-21(20)22(24,25)26/h2-5,10,28H,6-9,11H2,1H3/p+1