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

Systemtic Name: 2-ethoxycarbonyl-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 2-ethoxycarbonyl-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 2-ethoxycarbonyl-3-(2-methoxyphenyl)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 2-ethoxycarbonyl-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 2-carbethoxy-4-keto-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)C)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)C)C4=CC=CC=C4OC

InChI

InChI=1S/C25H28N2O6/c1-4-32-25(30)24-21(16-7-5-6-8-20(16)31-3)22(29)17-9-10-19(28)18(23(17)33-24)15-27-13-11-26(2)12-14-27/h5-10,28H,4,11-15H2,1-3H3