3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromone Formula: C21H20F3N2O2+ MolecularWeight: 389.39091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC3=CC=CC=C3C2=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC3=CC=CC=C3C2=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O2/c22-21(23,24)16-4-3-5-17(12-16)26-10-8-25(9-11-26)13-15-14-28-19-7-2-1-6-18(19)20(15)27/h1-7,12,14H,8-11,13H2/p+1