N-tert-butyl-4-[(3S)-3-(pyridin-3-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[(3S)-3-(pyridin-3-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Openeye Name: N-tert-butyl-4-[(3S)-3-(3-pyridylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide CAS Name: N-tert-butyl-4-[(3S)-3-[oxo-(3-pyridinylmethylamino)methyl]-1-piperidin-1-iumyl]-1-piperidinecarboxamide IUPAC Name: N-tert-butyl-4-[(3S)-3-(pyridin-3-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Traditional Name: N-tert-butyl-4-[(3S)-3-(3-pyridylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Formula: C22H36N5O2+ MolecularWeight: 402.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H35N5O2/c1-22(2,3)25-21(29)26-12-8-19(9-13-26)27-11-5-7-18(16-27)20(28)24-15-17-6-4-10-23-14-17/h4,6,10,14,18-19H,5,7-9,11-13,15-16H2,1-3H3,(H,24,28)(H,25,29)/p+1/t18-/m0/s1