3-(3-methylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(3-methylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(3-methylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(3-methylphenoxy)-8-(4-morpholin-4-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(3-methylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(3-methylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromone Formula: C22H21F3NO5+ MolecularWeight: 436.40105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F3NO5/c1-13-3-2-4-14(11-13)30-20-18(28)15-5-6-17(27)16(12-26-7-9-29-10-8-26)19(15)31-21(20)22(23,24)25/h2-6,11,27H,7-10,12H2,1H3/p+1