dimethyl 2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(4-ethyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H27N3O5+2 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H25N3O5/c1-4-20-7-9-21(10-8-20)12-16(22)19-15-11-13(17(23)25-2)5-6-14(15)18(24)26-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,19,22)/p+2