tert-butyl 4-(1,3-benzoxazol-2-yl)-1-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(1,3-benzoxazol-2-yl)-1-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-(1,3-benzoxazol-2-yl)-1-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-ium-1-carboxylate CAS Name: 4-(1,3-benzoxazol-2-yl)-1-[5-[oxo(3-thiazolidinyl)methyl]-3-pyrrolidinyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-benzoxazol-2-yl)-1-[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-ium-1-carboxylate Traditional Name: 4-(1,3-benzoxazol-2-yl)-1-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C24H34N5O4S+ MolecularWeight: 488.62286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C4CC(NC4)C(=O)N5CCSC5

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C4CC(NC4)C(=O)N5CCSC5

InChI

InChI=1S/C24H34N5O4S/c1-24(2,3)33-23(31)29(17-14-19(25-15-17)21(30)28-10-13-34-16-28)11-8-27(9-12-29)22-26-18-6-4-5-7-20(18)32-22/h4-7,17,19,25H,8-16H2,1-3H3/q+1