tert-butyl 1-(piperidin-4-ylcarbamoyl)-2H-pyridin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(piperidin-4-ylcarbamoyl)-2H-pyridin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-piperidylcarbamoyl)-2H-pyridin-1-ium-1-carboxylate CAS Name: 1-[oxo-(4-piperidinylamino)methyl]-2H-pyridin-1-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(piperidin-4-ylcarbamoyl)-2H-pyridin-1-ium-1-carboxylate Traditional Name: 1-(4-piperidylcarbamoyl)-2H-pyridin-1-ium-1-carboxylic acid tert-butyl ester Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CC=CC=C1)C(=O)NC2CCNCC2

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CC=CC=C1)C(=O)NC2CCNCC2

InChI

InChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)19(11-5-4-6-12-19)14(20)18-13-7-9-17-10-8-13/h4-6,11,13,17H,7-10,12H2,1-3H3/p+1