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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O2/c1-2-3-11-24-22(29)26-13-8-20(9-14-26)27-12-5-7-19(17-27)21(28)25-16-18-6-4-10-23-15-18/h4,6,10,15,19-20H,2-3,5,7-9,11-14,16-17H2,1H3,(H,24,29)(H,25,28)/p+1/t19-/m0/s1