8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(2-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C29H26F3NO4 MolecularWeight: 509.51625

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)[O-]

InChI

InChI=1S/C29H26F3NO4/c1-18-7-5-6-16-33(18)17-23-24(34)15-14-22-25(35)27(28(29(30,31)32)37-26(22)23)36-21-12-10-20(11-13-21)19-8-3-2-4-9-19/h2-4,8-15,18,34H,5-7,16-17H2,1H3