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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-methyl-7-[2-(4-methyl-1-piperazin-4-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromone Formula: C25H31N2O5+ MolecularWeight: 439.52404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCCN3CC[NH+](CC3)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCCN3CC[NH+](CC3)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H30N2O5/c1-17-24(18-5-8-21(29-3)23(15-18)30-4)25(28)20-7-6-19(16-22(20)32-17)31-14-13-27-11-9-26(2)10-12-27/h5-8,15-16H,9-14H2,1-4H3/p+1