methyl 1-[(3R,5S)-1-propyl-5-(thiophen-2-ylmethylcarbamoyl)pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-[(3R,5S)-1-propyl-5-(thiophen-2-ylmethylcarbamoyl)pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-[(3R,5S)-1-propyl-5-(2-thienylmethylcarbamoyl)pyrrolidin-1-ium-3-yl]triazole-4-carboxylate CAS Name: 1-[(3R,5S)-5-[oxo-(thiophen-2-ylmethylamino)methyl]-1-propyl-3-pyrrolidin-1-iumyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3R,5S)-1-propyl-5-(thiophen-2-ylmethylcarbamoyl)pyrrolidin-1-ium-3-yl]triazole-4-carboxylate Traditional Name: 1-[(3R,5S)-1-propyl-5-(2-thenylcarbamoyl)pyrrolidin-1-ium-3-yl]triazole-4-carboxylic acid methyl ester Formula: C17H24N5O3S+ MolecularWeight: 378.46916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC(CC1C(=O)NCC2=CC=CS2)N3C=C(N=N3)C(=O)OC

Isomeric SMILES

CCC[NH+]1C[C@@H](C[C@H]1C(=O)NCC2=CC=CS2)N3C=C(N=N3)C(=O)OC

InChI

InChI=1S/C17H23N5O3S/c1-3-6-21-10-12(22-11-14(19-20-22)17(24)25-2)8-15(21)16(23)18-9-13-5-4-7-26-13/h4-5,7,11-12,15H,3,6,8-10H2,1-2H3,(H,18,23)/p+1/t12-,15+/m1/s1