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

Systemtic Name: tert-butyl 4-[(4-cyanophenyl)methyl]-1-(2-hydroxyethylamino)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-[(4-cyanophenyl)methyl]-1-(2-hydroxyethylamino)-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 4-[(4-cyanophenyl)methyl]-1-(2-hydroxyethylamino)-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-cyanophenyl)methyl]-1-(2-hydroxyethylamino)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 4-(4-cyanobenzyl)-1-(2-hydroxyethylamino)-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C23H33N4O4S+ MolecularWeight: 461.59752

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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)NCCO

Isomeric SMILES

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

InChI

InChI=1S/C23H33N4O4S/c1-23(2,3)31-22(30)27(25-8-10-28)15-19(12-17-4-6-18(14-24)7-5-17)13-20(27)21(29)26-9-11-32-16-26/h4-7,19-20,25,28H,8-13,15-16H2,1-3H3/q+1