ethyl 4-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]benzoate Traditional Name: 4-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]benzoic acid ethyl ester Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCC[NH2+]2

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-2-19-14(18)10-5-7-11(8-6-10)16-13(17)12-4-3-9-15-12/h5-8,12,15H,2-4,9H2,1H3,(H,16,17)/p+1/t12-/m0/s1