methyl 4-chloranyl-3-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]benzoic acid methyl ester Formula: C13H16ClN2O3+ MolecularWeight: 283.73074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O3/c1-19-13(18)8-4-5-9(14)11(7-8)16-12(17)10-3-2-6-15-10/h4-5,7,10,15H,2-3,6H2,1H3,(H,16,17)/p+1/t10-/m0/s1