2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[3-methyl-2,4-bis(oxidanyl)phenyl]ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[3-methyl-2,4-bis(oxidanyl)phenyl]ethanone Openeye Name: 1-(2,4-dihydroxy-3-methyl-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,4-dihydroxy-3-methylphenyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,4-dihydroxy-3-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2,4-dihydroxy-3-methyl-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C20H24N2O4/c1-14-18(23)8-7-17(20(14)25)19(24)13-21-9-11-22(12-10-21)15-3-5-16(26-2)6-4-15/h3-8,23,25H,9-13H2,1-2H3/p+1