tert-butyl 4-(5-cyanopyridin-2-yl)-1-(methylamino)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(5-cyanopyridin-2-yl)-1-(methylamino)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-(5-cyano-2-pyridyl)-1-(methylamino)-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 4-(5-cyano-2-pyridinyl)-1-(methylamino)-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-cyanopyridin-2-yl)-1-(methylamino)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 4-(5-cyano-2-pyridyl)-1-(methylamino)-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C20H28N5O3S+ MolecularWeight: 418.53302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)C3=NC=C(C=C3)C#N)NC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)C3=NC=C(C=C3)C#N)NC

InChI

InChI=1S/C20H28N5O3S/c1-20(2,3)28-19(27)25(22-4)12-15(16-6-5-14(10-21)11-23-16)9-17(25)18(26)24-7-8-29-13-24/h5-6,11,15,17,22H,7-9,12-13H2,1-4H3/q+1