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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-methoxyphenyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)chromone Formula: C24H25F3NO4+ MolecularWeight: 448.45481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C(F)(F)F

InChI

InChI=1S/C24H24F3NO4/c1-31-19-9-5-4-8-15(19)20-21(30)16-10-11-18(29)17(14-28-12-6-2-3-7-13-28)22(16)32-23(20)24(25,26)27/h4-5,8-11,29H,2-3,6-7,12-14H2,1H3/p+1