dimethyl 2-(2-piperidin-1-ium-1-ylethanoylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(2-piperidin-1-ium-1-ylethanoylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H23N2O5+ MolecularWeight: 335.37492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-23-16(21)12-6-7-13(17(22)24-2)14(10-12)18-15(20)11-19-8-4-3-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,20)/p+1