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

Systemtic Name: 2-(4-chlorophenyl)-7-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]chromen-4-one Openeye Name: 2-(4-chlorophenyl)-7-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]chromen-4-one CAS Name: 2-(4-chlorophenyl)-7-methyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]-1-benzopyran-4-one IUPAC Name: 2-(4-chlorophenyl)-7-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]chromen-4-one Traditional Name: 2-(4-chlorophenyl)-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-7-methyl-chromone Formula: C23H24ClN2O4+ MolecularWeight: 427.90066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OCC(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OCC(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H23ClN2O4/c1-15-3-8-18-19(13-15)30-22(16-4-6-17(24)7-5-16)23(21(18)28)29-14-20(27)26-11-9-25(2)10-12-26/h3-8,13H,9-12,14H2,1-2H3/p+1