1-(1-pentan-3-ylpiperidin-1-ium-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-pentan-3-ylpiperidin-1-ium-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[1-(1-ethylpropyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-(1-pentan-3-yl-4-piperidin-1-iumyl)-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-pentan-3-ylpiperidin-1-ium-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[1-(1-ethylpropyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)isonipecotamide Formula: C22H37N4O+ MolecularWeight: 373.55538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCC(CC1)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCC(CC)[NH+]1CCC(CC1)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H36N4O/c1-3-20(4-2)25-14-9-21(10-15-25)26-12-7-19(8-13-26)22(27)24-17-18-6-5-11-23-16-18/h5-6,11,16,19-21H,3-4,7-10,12-15,17H2,1-2H3,(H,24,27)/p+1