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

Systemtic Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-olate Openeye Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate CAS Name: 8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-1-benzopyran-7-olate IUPAC Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate Traditional Name: 4-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-(4-propoxycarbonylphenoxy)chromen-7-olate Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)C)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)C)[O-]

InChI

InChI=1S/C25H28N2O6/c1-3-14-31-25(30)17-4-6-18(7-5-17)33-22-16-32-24-19(23(22)29)8-9-21(28)20(24)15-27-12-10-26(2)11-13-27/h4-9,16,28H,3,10-15H2,1-2H3