8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-3-phenyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-3-phenyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-phenyl-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)chromone Formula: C22H23F3N2O3+2 MolecularWeight: 420.42483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O3/c1-26-9-11-27(12-10-26)13-16-17(28)8-7-15-19(29)18(14-5-3-2-4-6-14)21(22(23,24)25)30-20(15)16/h2-8,28H,9-13H2,1H3/p+2