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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-ethylpiperazin-4-ium-1-yl)ethoxy]-4-methyl-chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-ethylpiperazin-4-ium-1-yl)ethoxy]-4-methyl-chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-ethyl-1-piperazin-4-iumyl)ethoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-ethylpiperazin-4-ium-1-yl)ethoxy]-4-methylchromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-ethylpiperazin-4-ium-1-yl)ethoxy]-4-methyl-coumarin Formula: C26H33N2O5+ MolecularWeight: 453.55062

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCOC2=CC3=C(C=C2)C(=C(C(=O)O3)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CCOC2=CC3=C(C=C2)C(=C(C(=O)O3)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C26H32N2O5/c1-5-27-10-12-28(13-11-27)14-15-32-20-7-8-21-18(2)25(26(29)33-23(21)17-20)19-6-9-22(30-3)24(16-19)31-4/h6-9,16-17H,5,10-15H2,1-4H3/p+1