tert-butyl 4-[(4-cyanophenyl)methyl]-1-(methylamino)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-cyanophenyl)methyl]-1-(methylamino)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-[(4-cyanophenyl)methyl]-1-(methylamino)-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 4-[(4-cyanophenyl)methyl]-1-(methylamino)-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-cyanophenyl)methyl]-1-(methylamino)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 4-(4-cyanobenzyl)-1-(methylamino)-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)CC3=CC=C(C=C3)C#N)NC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)CC3=CC=C(C=C3)C#N)NC

InChI

InChI=1S/C22H31N4O3S/c1-22(2,3)29-21(28)26(24-4)14-18(11-16-5-7-17(13-23)8-6-16)12-19(26)20(27)25-9-10-30-15-25/h5-8,18-19,24H,9-12,14-15H2,1-4H3/q+1