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

Systemtic Name: methyl 4-[2-[[(2S)-pyrrolidin-1-ium-2-yl]methoxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[(2S)-pyrrolidin-1-ium-2-yl]methoxy]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[(2S)-2-pyrrolidin-1-iumyl]methoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[(2S)-pyrrolidin-1-ium-2-yl]methoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[[(2S)-pyrrolidin-1-ium-2-yl]methoxy]acetyl]amino]benzoic acid methyl ester Formula: C15H21N2O4+ MolecularWeight: 293.33824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COCC2CCC[NH2+]2

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-20-15(19)11-4-6-12(7-5-11)17-14(18)10-21-9-13-3-2-8-16-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,17,18)/p+1/t13-/m0/s1