dimethyl 5-(2-piperidin-1-ium-1-ylethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-piperidin-1-ium-1-ylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-piperidin-1-ium-1-ylacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-piperidin-1-ium-1-ylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-piperidin-1-ium-1-ylacetyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H23N2O5+ MolecularWeight: 335.37492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C[NH+]2CCCCC2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C[NH+]2CCCCC2)C(=O)OC

InChI

InChI=1S/C17H22N2O5/c1-23-16(21)12-8-13(17(22)24-2)10-14(9-12)18-15(20)11-19-6-4-3-5-7-19/h8-10H,3-7,11H2,1-2H3,(H,18,20)/p+1