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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-methyl-1-piperazin-4-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromone Formula: C24H29N2O5+ MolecularWeight: 425.49746

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H28N2O5/c1-25-8-10-26(11-9-25)12-13-30-18-5-6-19-22(15-18)31-16-20(24(19)27)17-4-7-21(28-2)23(14-17)29-3/h4-7,14-16H,8-13H2,1-3H3/p+1