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

Systemtic Name: dimethyl 5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C19H26N2O5/c1-12-5-13(2)10-21(9-12)11-17(22)20-16-7-14(18(23)25-3)6-15(8-16)19(24)26-4/h6-8,12-13H,5,9-11H2,1-4H3,(H,20,22)/p+1/t12-,13-/m1/s1