3-(4-methylphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-methylphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-methylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-methylphenoxy)-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-methylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C22H21F3NO4+ MolecularWeight: 420.40165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O)C(F)(F)F

InChI

InChI=1S/C22H20F3NO4/c1-13-4-6-14(7-5-13)29-20-18(28)15-8-9-17(27)16(12-26-10-2-3-11-26)19(15)30-21(20)22(23,24)25/h4-9,27H,2-3,10-12H2,1H3/p+1