tert-butyl 2-aminocarbonyl-1-tert-butyl-4-(1,3-thiazol-5-ylmethoxy)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 2-aminocarbonyl-1-tert-butyl-4-(1,3-thiazol-5-ylmethoxy)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-tert-butyl-2-carbamoyl-4-(thiazol-5-ylmethoxy)piperidin-1-ium-1-carboxylate CAS Name: 1-tert-butyl-2-carbamoyl-4-(5-thiazolylmethoxy)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-tert-butyl-2-carbamoyl-4-(1,3-thiazol-5-ylmethoxy)piperidin-1-ium-1-carboxylate Traditional Name: 1-tert-butyl-2-carbamoyl-4-(thiazol-5-ylmethoxy)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C19H32N3O4S+ MolecularWeight: 398.54008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(CCC(CC1C(=O)N)OCC2=CN=CS2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[N+]1(CCC(CC1C(=O)N)OCC2=CN=CS2)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H31N3O4S/c1-18(2,3)22(17(24)26-19(4,5)6)8-7-13(9-15(22)16(20)23)25-11-14-10-21-12-27-14/h10,12-13,15H,7-9,11H2,1-6H3,(H-,20,23)/p+1