2-ethyl-6-methyl-4-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-ethyl-6-methyl-4-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ium-1-ylethyl)-N-(2-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-ethyl-6-methyl-4-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-N-(2-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ium-1-ylethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-ethyl-4-keto-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)-N-(2-pyridylmethyl)nicotinamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H30N4O2/c1-3-19-21(22(28)24-16-18-9-5-6-10-23-18)20(27)15-17(2)26(19)14-13-25-11-7-4-8-12-25/h5-6,9-10,15H,3-4,7-8,11-14,16H2,1-2H3,(H,24,28)/p+1