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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromone Formula: C23H22ClF3NO3+ MolecularWeight: 452.87389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Cl)C(F)(F)F)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Cl)C(F)(F)F)O

InChI

InChI=1S/C23H21ClF3NO3/c24-15-7-5-14(6-8-15)19-20(30)16-9-10-18(29)17(13-28-11-3-1-2-4-12-28)21(16)31-22(19)23(25,26)27/h5-10,29H,1-4,11-13H2/p+1