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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromone Formula: C25H27F3NO5+ MolecularWeight: 478.48079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C(F)(F)F

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C(F)(F)F

InChI

InChI=1S/C25H26F3NO5/c1-2-32-19-9-5-6-10-20(19)33-23-21(31)16-11-12-18(30)17(15-29-13-7-3-4-8-14-29)22(16)34-24(23)25(26,27)28/h5-6,9-12,30H,2-4,7-8,13-15H2,1H3/p+1