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

Systemtic Name: ethyl 2-[2-[[(2S)-pyrrolidin-1-ium-2-yl]methoxy]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[[(2S)-pyrrolidin-1-ium-2-yl]methoxy]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[(2S)-2-pyrrolidin-1-iumyl]methoxy]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[(2S)-pyrrolidin-1-ium-2-yl]methoxy]acetyl]amino]benzoate Traditional Name: 2-[[2-[[(2S)-pyrrolidin-1-ium-2-yl]methoxy]acetyl]amino]benzoic acid ethyl ester Formula: C16H23N2O4+ MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COCC2CCC[NH2+]2

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-2-22-16(20)13-7-3-4-8-14(13)18-15(19)11-21-10-12-6-5-9-17-12/h3-4,7-8,12,17H,2,5-6,9-11H2,1H3,(H,18,19)/p+1/t12-/m0/s1