dimethyl 2-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(2R)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H24N2O5/c1-12-6-4-5-9-20(12)11-16(21)19-15-10-13(17(22)24-2)7-8-14(15)18(23)25-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,19,21)/p+1/t12-/m1/s1