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

Systemtic Name: 2-(4-methoxyphenyl)-5,7-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]chromen-4-one Openeye Name: 2-(4-methoxyphenyl)-5,7-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]chromen-4-one CAS Name: 2-(4-methoxyphenyl)-5,7-dimethyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]-1-benzopyran-4-one IUPAC Name: 2-(4-methoxyphenyl)-5,7-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]chromen-4-one Traditional Name: 3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-2-(4-methoxyphenyl)-5,7-dimethyl-chromone Formula: C25H29N2O5+ MolecularWeight: 437.50816

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-16-13-17(2)22-20(14-16)32-24(18-5-7-19(30-4)8-6-18)25(23(22)29)31-15-21(28)27-11-9-26(3)10-12-27/h5-8,13-14H,9-12,15H2,1-4H3/p+1