6-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide Openeye Name: 6-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide CAS Name: 6-oxo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide IUPAC Name: 6-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide Traditional Name: 6-keto-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-1H-pyridine-3-carboxamide Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CNC(=O)C=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C19H23N3O2/c23-18-9-8-17(13-20-18)19(24)21-12-15-4-6-16(7-5-15)14-22-10-2-1-3-11-22/h4-9,13H,1-3,10-12,14H2,(H,20,23)(H,21,24)/p+1