N-(1-ethylpiperidin-1-ium-4-yl)pyridine-4-carboxamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)pyridine-4-carboxamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)pyridine-4-carboxamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-4-pyridinecarboxamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)pyridine-4-carboxamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)isonicotinamide Formula: C13H20N3O+ MolecularWeight: 234.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2=CC=NC=C2

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H19N3O/c1-2-16-9-5-12(6-10-16)15-13(17)11-3-7-14-8-4-11/h3-4,7-8,12H,2,5-6,9-10H2,1H3,(H,15,17)/p+1