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

Systemtic Name: methyl 4-[(2-piperidin-1-ium-1-ylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[(2-piperidin-1-ium-1-ylacetyl)amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-piperidin-1-ium-1-ylacetyl)amino]methyl]benzoate Traditional Name: 4-[[(2-piperidin-1-ium-1-ylacetyl)amino]methyl]benzoic acid methyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-21-16(20)14-7-5-13(6-8-14)11-17-15(19)12-18-9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,17,19)/p+1