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

Systemtic Name: 3-(3-chlorophenyl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3-chlorophenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3-chlorophenyl)-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3-chlorophenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3-chlorophenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromone Formula: C21H18ClF3NO4+ MolecularWeight: 440.82013

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=CC=C4)Cl)C(F)(F)F)O

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=CC=C4)Cl)C(F)(F)F)O

InChI

InChI=1S/C21H17ClF3NO4/c22-13-3-1-2-12(10-13)17-18(28)14-4-5-16(27)15(11-26-6-8-29-9-7-26)19(14)30-20(17)21(23,24)25/h1-5,10,27H,6-9,11H2/p+1