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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chloranyl-3-methyl-phenoxy)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chloro-3-methyl-phenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(4-chloro-3-methylphenoxy)-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chloro-3-methylphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chloro-3-methyl-phenoxy)-7-hydroxy-2-(trifluoromethyl)chromone Formula: C24H24ClF3NO4+ MolecularWeight: 482.89987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C(F)(F)F)Cl

InChI

InChI=1S/C24H23ClF3NO4/c1-14-12-15(6-8-18(14)25)32-22-20(31)16-7-9-19(30)17(13-29-10-4-2-3-5-11-29)21(16)33-23(22)24(26,27)28/h6-9,12,30H,2-5,10-11,13H2,1H3/p+1