methyl 4-(2-piperidin-1-ium-4-yloxyethanoylamino)benzoate

Systemtic Name: methyl 4-(2-piperidin-1-ium-4-yloxyethanoylamino)benzoate Openeye Name: methyl 4-[(2-piperidin-1-ium-4-yloxyacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(4-piperidin-1-iumyloxy)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-piperidin-1-ium-4-yloxyacetyl)amino]benzoate Traditional Name: 4-[(2-piperidin-1-ium-4-yloxyacetyl)amino]benzoic acid methyl ester Formula: C15H21N2O4+ MolecularWeight: 293.33824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC2CC[NH2+]CC2

InChI

InChI=1S/C15H20N2O4/c1-20-15(19)11-2-4-12(5-3-11)17-14(18)10-21-13-6-8-16-9-7-13/h2-5,13,16H,6-10H2,1H3,(H,17,18)/p+1