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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]chromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]coumarin Formula: C24H27N2O6+ MolecularWeight: 439.48098

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H26N2O6/c1-25-8-10-26(11-9-25)23(27)15-31-18-6-4-17-12-19(24(28)32-21(17)14-18)16-5-7-20(29-2)22(13-16)30-3/h4-7,12-14H,8-11,15H2,1-3H3/p+1