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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-2-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC(=C(C=C4)OC)OC)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC(=C(C=C4)OC)OC)[O-]

InChI

InChI=1S/C23H26N2O5/c1-24-8-10-25(11-9-24)14-18-19(26)6-4-16-12-17(23(27)30-22(16)18)15-5-7-20(28-2)21(13-15)29-3/h4-7,12-13,26H,8-11,14H2,1-3H3