ethyl 2-[[(3S)-piperidin-1-ium-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[(3S)-piperidin-1-ium-3-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[(3S)-piperidin-1-ium-3-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[(3S)-3-piperidin-1-iumyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-piperidin-1-ium-3-carbonyl]amino]benzoate Traditional Name: 2-[[(3S)-piperidin-1-ium-3-carbonyl]amino]benzoic acid ethyl ester Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2CCC[NH2+]C2

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C15H20N2O3/c1-2-20-15(19)12-7-3-4-8-13(12)17-14(18)11-6-5-9-16-10-11/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3,(H,17,18)/p+1/t11-/m0/s1