methyl (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-thiazol-5-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-thiazol-5-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-indan-2-yl-4-(thiazole-5-carbonylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[oxo(5-thiazolyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-thiazole-5-carbonylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-indan-2-yl-4-(thiazole-5-carbonylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H22N3O3S+ MolecularWeight: 372.46128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1C2CC3=CC=CC=C3C2)NC(=O)C4=CN=CS4

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH+]1C2CC3=CC=CC=C3C2)NC(=O)C4=CN=CS4

InChI

InChI=1S/C19H21N3O3S/c1-25-19(24)16-8-14(21-18(23)17-9-20-11-26-17)10-22(16)15-6-12-4-2-3-5-13(12)7-15/h2-5,9,11,14-16H,6-8,10H2,1H3,(H,21,23)/p+1/t14-,16+/m1/s1