8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C26H27F3N2O6 MolecularWeight: 520.49759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27F3N2O6/c1-3-14-35-25(34)16-4-6-17(7-5-16)36-23-21(33)18-8-9-20(32)19(15-31-12-10-30(2)11-13-31)22(18)37-24(23)26(27,28)29/h4-9,32H,3,10-15H2,1-2H3