3-(3-chlorophenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(3-chlorophenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3-chlorophenyl)-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C22H20ClF3NO3+ MolecularWeight: 438.84731

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=CC=C4)Cl)C(F)(F)F)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=CC=C4)Cl)C(F)(F)F)O

InChI

InChI=1S/C22H19ClF3NO3/c23-14-6-4-5-13(11-14)18-19(29)15-7-8-17(28)16(12-27-9-2-1-3-10-27)20(15)30-21(18)22(24,25)26/h4-8,11,28H,1-3,9-10,12H2/p+1