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

Systemtic Name: methyl 4-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]benzoate Traditional Name: 4-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]benzoic acid methyl ester Formula: C13H17N2O3+ MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3/c1-18-13(17)9-4-6-10(7-5-9)15-12(16)11-3-2-8-14-11/h4-7,11,14H,2-3,8H2,1H3,(H,15,16)/p+1/t11-/m0/s1