2-(3,4-dimethoxyphenyl)-5,7-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]chromen-4-one

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]chromen-4-one Openeye Name: 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]chromen-4-one CAS Name: 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]-1-benzopyran-4-one IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]chromen-4-one Traditional Name: 2-(3,4-dimethoxyphenyl)-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-5,7-dimethyl-chromone Formula: C26H31N2O6+ MolecularWeight: 467.53414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OC(=C(C2=O)OCC(=O)N3CC[NH+](CC3)C)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)OC(=C(C2=O)OCC(=O)N3CC[NH+](CC3)C)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C26H30N2O6/c1-16-12-17(2)23-21(13-16)34-25(18-6-7-19(31-4)20(14-18)32-5)26(24(23)30)33-15-22(29)28-10-8-27(3)9-11-28/h6-7,12-14H,8-11,15H2,1-5H3/p+1