3-(3-chlorophenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(3-chlorophenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3-chlorophenyl)-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C22H21ClF3N2O3+ MolecularWeight: 453.86195

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=CC=C4)Cl)C(F)(F)F)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=CC=C4)Cl)C(F)(F)F)O

InChI

InChI=1S/C22H20ClF3N2O3/c1-27-7-9-28(10-8-27)12-16-17(29)6-5-15-19(30)18(13-3-2-4-14(23)11-13)21(22(24,25)26)31-20(15)16/h2-6,11,29H,7-10,12H2,1H3/p+1