dimethyl 5-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H24N3O5+ MolecularWeight: 350.38956

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H23N3O5/c1-19-4-6-20(7-5-19)11-15(21)18-14-9-12(16(22)24-2)8-13(10-14)17(23)25-3/h8-10H,4-7,11H2,1-3H3,(H,18,21)/p+1