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

Systemtic Name: 2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-olate Openeye Name: 2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate CAS Name: 2-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-1-benzopyran-7-olate IUPAC Name: 2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate Traditional Name: 4-keto-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-(4-propoxycarbonylphenoxy)chromen-7-olate Formula: C26H30N2O6 MolecularWeight: 466.5262

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O6/c1-4-15-32-26(31)18-5-7-19(8-6-18)34-24-17(2)33-25-20(23(24)30)9-10-22(29)21(25)16-28-13-11-27(3)12-14-28/h5-10,29H,4,11-16H2,1-3H3