tert-butyl 1-(piperidin-4-ylcarbamoyl)-2H-pyridin-1-ium-1-carboxylate; N-piperidin-4-yl-2H-pyridine-1-carboxamide

Systemtic Name: tert-butyl 1-(piperidin-4-ylcarbamoyl)-2H-pyridin-1-ium-1-carboxylate; N-piperidin-4-yl-2H-pyridine-1-carboxamide Openeye Name: tert-butyl 1-(4-piperidylcarbamoyl)-2H-pyridin-1-ium-1-carboxylate; N-(4-piperidyl)-2H-pyridine-1-carboxamide CAS Name: 1-[oxo-(4-piperidinylamino)methyl]-2H-pyridin-1-ium-1-carboxylic acid tert-butyl ester; N-(4-piperidinyl)-2H-pyridine-1-carboxamide IUPAC Name: tert-butyl 1-(piperidin-4-ylcarbamoyl)-2H-pyridin-1-ium-1-carboxylate; N-piperidin-4-yl-2H-pyridine-1-carboxamide Traditional Name: 1-(4-piperidylcarbamoyl)-2H-pyridin-1-ium-1-carboxylic acid tert-butyl ester; N-(4-piperidyl)-2H-pyridine-1-carboxamide Formula: C27H43N6O4+ MolecularWeight: 515.66812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CC=CC=C1)C(=O)NC2CCNCC2.C1CNCCC1NC(=O)N2CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CC=CC=C1)C(=O)NC2CCNCC2.C1CNCCC1NC(=O)N2CC=CC=C2

InChI

InChI=1S/C16H25N3O3.C11H17N3O/c1-16(2,3)22-15(21)19(11-5-4-6-12-19)14(20)18-13-7-9-17-10-8-13;15-11(14-8-2-1-3-9-14)13-10-4-6-12-7-5-10/h4-6,11,13,17H,7-10,12H2,1-3H3;1-3,8,10,12H,4-7,9H2,(H,13,15)/p+1