3-(4-ethylphenoxy)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-ethylphenoxy)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-ethylphenoxy)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-ethylphenoxy)-8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-ethylphenoxy)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-ethylphenoxy)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromone Formula: C26H29F3NO4+ MolecularWeight: 476.50797

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)CC)C(F)(F)F)O

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)CC)C(F)(F)F)O

InChI

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