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

Systemtic Name: dimethyl 5-[2-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-carbamoyl-4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-carbamoyl-4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H34N4O6+2 MolecularWeight: 462.53926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)C(=O)OC

InChI

InChI=1S/C23H32N4O6/c1-32-20(29)16-12-17(21(30)33-2)14-18(13-16)25-19(28)15-26-10-6-23(7-11-26,22(24)31)27-8-4-3-5-9-27/h12-14H,3-11,15H2,1-2H3,(H2,24,31)(H,25,28)/p+2