3-(3,4-dimethoxyphenyl)-2-methyl-6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromene-5,7-diolate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromene-5,7-diolate Openeye Name: 3-(3,4-dimethoxyphenyl)-2-methyl-6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromene-5,7-diolate CAS Name: 3-(3,4-dimethoxyphenyl)-2-methyl-6,8-bis[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-5,7-diolate IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-methyl-6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromene-5,7-diolate Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-2-methyl-6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]chromene-5,7-diolate Formula: C30H40N4O6 MolecularWeight: 552.6618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C(=C(C(=C2O1)C[NH+]3CCN(CC3)C)[O-])C[NH+]4CCN(CC4)C)[O-])C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(C(=C(C(=C2O1)C[NH+]3CCN(CC3)C)[O-])C[NH+]4CCN(CC4)C)[O-])C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C30H40N4O6/c1-19-25(20-6-7-23(38-4)24(16-20)39-5)29(37)26-28(36)21(17-33-12-8-31(2)9-13-33)27(35)22(30(26)40-19)18-34-14-10-32(3)11-15-34/h6-7,16,35-36H,8-15,17-18H2,1-5H3