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

Systemtic Name: 7-oxidanyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C21H19F3NO3+ MolecularWeight: 390.37567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3NO3/c22-21(23,24)20-17(13-6-2-1-3-7-13)18(27)14-8-9-16(26)15(19(14)28-20)12-25-10-4-5-11-25/h1-3,6-9,26H,4-5,10-12H2/p+1