methyl 3-[[(3S)-piperidin-1-ium-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[(3S)-piperidin-1-ium-3-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[(3S)-piperidin-1-ium-3-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[(3S)-3-piperidin-1-iumyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3S)-piperidin-1-ium-3-carbonyl]amino]benzoate Traditional Name: 3-[[(3S)-piperidin-1-ium-3-carbonyl]amino]benzoic acid methyl ester Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCC[NH2+]C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C14H18N2O3/c1-19-14(18)10-4-2-6-12(8-10)16-13(17)11-5-3-7-15-9-11/h2,4,6,8,11,15H,3,5,7,9H2,1H3,(H,16,17)/p+1/t11-/m0/s1