tert-butyl 1-(piperidin-4-ylcarbamoyl)-2H-pyridin-1-ium-1-carboxylate; 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Systemtic Name: tert-butyl 1-(piperidin-4-ylcarbamoyl)-2H-pyridin-1-ium-1-carboxylate; 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonylpiperidine-4-carboxylic acid; tert-butyl 1-(4-piperidylcarbamoyl)-2H-pyridin-1-ium-1-carboxylate CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid; 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; 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonylisonipecotic acid; 1-(4-piperidylcarbamoyl)-2H-pyridin-1-ium-1-carboxylic acid tert-butyl ester Formula: C27H45N4O7+ MolecularWeight: 537.6688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)O.CC(C)(C)OC(=O)[N+]1(CC=CC=C1)C(=O)NC2CCNCC2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)O.CC(C)(C)OC(=O)[N+]1(CC=CC=C1)C(=O)NC2CCNCC2

InChI

InChI=1S/C16H25N3O3.C11H19NO4/c1-16(2,3)22-15(21)19(11-5-4-6-12-19)14(20)18-13-7-9-17-10-8-13;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h4-6,11,13,17H,7-10,12H2,1-3H3;8H,4-7H2,1-3H3,(H,13,14)/p+1