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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(2,4-dichlorophenyl)-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromone Formula: C23H21Cl2F3NO3+ MolecularWeight: 487.31895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20Cl2F3NO3/c24-13-5-6-14(17(25)11-13)19-20(31)15-7-8-18(30)16(12-29-9-3-1-2-4-10-29)21(15)32-22(19)23(26,27)28/h5-8,11,30H,1-4,9-10,12H2/p+1