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

Systemtic Name: methyl 4-(2-piperidin-1-ium-1-ylethanoylamino)benzoate Openeye Name: methyl 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoate Traditional Name: 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoic acid methyl ester Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-20-15(19)12-5-7-13(8-6-12)16-14(18)11-17-9-3-2-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18)/p+1