methyl 4-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C18H21N2O3S+ MolecularWeight: 345.43594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-23-18(22)13-6-8-14(9-7-13)19-17(21)12-20-10-2-4-15(20)16-5-3-11-24-16/h3,5-9,11,15H,2,4,10,12H2,1H3,(H,19,21)/p+1/t15-/m1/s1