N-butyl-4-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide

Systemtic Name: N-butyl-4-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Openeye Name: N-butyl-4-[(3S)-3-(2-pyridylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide CAS Name: N-butyl-4-[(3S)-3-[oxo-(2-pyridinylmethylamino)methyl]-1-piperidin-1-iumyl]-1-piperidinecarboxamide IUPAC Name: N-butyl-4-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Traditional Name: N-butyl-4-[(3S)-3-(2-pyridylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Formula: C22H36N5O2+ MolecularWeight: 402.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CCCCNC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=N3

InChI

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