tert-butyl 4-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)piperidine-1-carboxylate CAS Name: 4-[oxo-[2-(1-pyrrolidin-1-iumyl)ethylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)piperidine-1-carboxylate Traditional Name: 4-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H32N3O3+ MolecularWeight: 326.45428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC[NH+]2CCCC2

InChI

InChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)20-11-6-14(7-12-20)15(21)18-8-13-19-9-4-5-10-19/h14H,4-13H2,1-3H3,(H,18,21)/p+1