3-(4-methoxyphenyl)-6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromene-5,7-diolate

Systemtic Name: 3-(4-methoxyphenyl)-6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromene-5,7-diolate Openeye Name: 3-(4-methoxyphenyl)-6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromene-5,7-diolate CAS Name: 3-(4-methoxyphenyl)-6,8-bis[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-5,7-diolate IUPAC Name: 3-(4-methoxyphenyl)-6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromene-5,7-diolate Traditional Name: 4-keto-3-(4-methoxyphenyl)-6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]chromene-5,7-diolate Formula: C28H36N4O5 MolecularWeight: 508.60924

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C(=C3C(=C2[O-])C(=O)C(=CO3)C4=CC=C(C=C4)OC)C[NH+]5CCN(CC5)C)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C(=C3C(=C2[O-])C(=O)C(=CO3)C4=CC=C(C=C4)OC)C[NH+]5CCN(CC5)C)[O-]

InChI

InChI=1S/C28H36N4O5/c1-29-8-12-31(13-9-29)16-21-25(33)22(17-32-14-10-30(2)11-15-32)28-24(26(21)34)27(35)23(18-37-28)19-4-6-20(36-3)7-5-19/h4-7,18,33-34H,8-17H2,1-3H3