ethyl 2-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C19H23N2O3S+ MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CS3

InChI

InChI=1S/C19H22N2O3S/c1-2-24-19(23)14-7-3-4-8-15(14)20-18(22)13-21-11-5-9-16(21)17-10-6-12-25-17/h3-4,6-8,10,12,16H,2,5,9,11,13H2,1H3,(H,20,22)/p+1/t16-/m1/s1