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

Systemtic Name: 3-(2-chlorophenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(2-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(2-chlorophenyl)-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(2-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(2-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=C4Cl)C(F)(F)F)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4Cl)C(F)(F)F)O

InChI

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