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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-7-oxidanyl-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-7-hydroxy-3-(4-propylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(4-propylphenoxy)-2-(trifluoromethyl)chromone Formula: C26H29F3NO4+ MolecularWeight: 476.50797

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C(F)(F)F

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C(F)(F)F

InChI

InChI=1S/C26H28F3NO4/c1-2-7-17-8-10-18(11-9-17)33-24-22(32)19-12-13-21(31)20(16-30-14-5-3-4-6-15-30)23(19)34-25(24)26(27,28)29/h8-13,31H,2-7,14-16H2,1H3/p+1