7-oxidanyl-3-phenyl-8-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 7-oxidanyl-3-phenyl-8-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-[(4-benzylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-[(4-benzylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-[(4-benzylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromone Formula: C28H26F3N2O3+ MolecularWeight: 495.51285

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC4=C3OC(=C(C4=O)C5=CC=CC=C5)C(F)(F)F)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC4=C3OC(=C(C4=O)C5=CC=CC=C5)C(F)(F)F)O

InChI

InChI=1S/C28H25F3N2O3/c29-28(30,31)27-24(20-9-5-2-6-10-20)25(35)21-11-12-23(34)22(26(21)36-27)18-33-15-13-32(14-16-33)17-19-7-3-1-4-8-19/h1-12,34H,13-18H2/p+1