1-[1-(2-ethylbutyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[1-(2-ethylbutyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[1-(2-ethylbutyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[1-(2-ethylbutyl)-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[1-(2-ethylbutyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[1-(2-ethylbutyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)isonipecotamide Formula: C23H39N4O+ MolecularWeight: 387.58196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N4O/c1-3-19(4-2)18-26-12-9-22(10-13-26)27-14-7-21(8-15-27)23(28)25-17-20-6-5-11-24-16-20/h5-6,11,16,19,21-22H,3-4,7-10,12-15,17-18H2,1-2H3,(H,25,28)/p+1