6,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C23H24F3N2O2+ MolecularWeight: 417.44407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C23H23F3N2O2/c1-15-10-20-17(12-22(29)30-21(20)11-16(15)2)14-27-6-8-28(9-7-27)19-5-3-4-18(13-19)23(24,25)26/h3-5,10-13H,6-9,14H2,1-2H3/p+1