7-oxidanyl-3-(4-phenylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 7-oxidanyl-3-(4-phenylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-phenylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-phenylphenoxy)-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-phenylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-phenylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C27H23F3NO4+ MolecularWeight: 482.47103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

InChI

InChI=1S/C27H22F3NO4/c28-27(29,30)26-25(34-19-10-8-18(9-11-19)17-6-2-1-3-7-17)23(33)20-12-13-22(32)21(24(20)35-26)16-31-14-4-5-15-31/h1-3,6-13,32H,4-5,14-16H2/p+1