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

Systemtic Name: dimethyl 5-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H24N3O6+ MolecularWeight: 378.39966

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6/c1-26-17(24)12-7-13(18(25)27-2)9-14(8-12)20-15(22)10-21-5-3-11(4-6-21)16(19)23/h7-9,11H,3-6,10H2,1-2H3,(H2,19,23)(H,20,22)/p+1