N-(piperidin-1-ium-4-ylmethyl)pyridine-4-carboxamide

Systemtic Name: N-(piperidin-1-ium-4-ylmethyl)pyridine-4-carboxamide Openeye Name: N-(piperidin-1-ium-4-ylmethyl)pyridine-4-carboxamide CAS Name: N-(4-piperidin-1-iumylmethyl)-4-pyridinecarboxamide IUPAC Name: N-(piperidin-1-ium-4-ylmethyl)pyridine-4-carboxamide Traditional Name: N-(piperidin-1-ium-4-ylmethyl)isonicotinamide Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CNC(=O)C2=CC=NC=C2

Isomeric SMILES

C1C[NH2+]CCC1CNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C12H17N3O/c16-12(11-3-7-14-8-4-11)15-9-10-1-5-13-6-2-10/h3-4,7-8,10,13H,1-2,5-6,9H2,(H,15,16)/p+1