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

Systemtic Name: 6-chloranyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromone Formula: C21H19ClF3N2O2+ MolecularWeight: 423.83597

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H18ClF3N2O2/c22-16-4-5-19-18(11-16)20(28)14(13-29-19)12-26-6-8-27(9-7-26)17-3-1-2-15(10-17)21(23,24)25/h1-5,10-11,13H,6-9,12H2/p+1