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

Systemtic Name: tert-butyl 4-[(4-cyanophenyl)methyl]-1-(propylamino)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-[(4-cyanophenyl)methyl]-1-(propylamino)-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 4-[(4-cyanophenyl)methyl]-2-[oxo(3-thiazolidinyl)methyl]-1-(propylamino)-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-cyanophenyl)methyl]-1-(propylamino)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 4-(4-cyanobenzyl)-1-(propylamino)-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C24H35N4O3S+ MolecularWeight: 459.6247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N4O3S/c1-5-10-26-28(23(30)31-24(2,3)4)16-20(13-18-6-8-19(15-25)9-7-18)14-21(28)22(29)27-11-12-32-17-27/h6-9,20-21,26H,5,10-14,16-17H2,1-4H3/q+1