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

Systemtic Name: 3-(4-tert-butylphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C26H31F3N2O4+2 MolecularWeight: 492.53055

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O)C(F)(F)F

InChI

InChI=1S/C26H29F3N2O4/c1-25(2,3)16-5-7-17(8-6-16)34-23-21(33)18-9-10-20(32)19(15-31-13-11-30(4)12-14-31)22(18)35-24(23)26(27,28)29/h5-10,32H,11-15H2,1-4H3/p+2