methyl 4,5-dimethoxy-2-(2-piperidin-1-ium-1-ylethanoylamino)benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-(2-piperidin-1-ium-1-ylethanoylamino)benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoic acid methyl ester Formula: C17H25N2O5+ MolecularWeight: 337.3908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C[NH+]2CCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C[NH+]2CCCCC2)OC

InChI

InChI=1S/C17H24N2O5/c1-22-14-9-12(17(21)24-3)13(10-15(14)23-2)18-16(20)11-19-7-5-4-6-8-19/h9-10H,4-8,11H2,1-3H3,(H,18,20)/p+1