N-[[3-(decoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride

Systemtic Name: N-[[3-(decoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride Openeye Name: N-[[3-(decoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride CAS Name: N-[[3-(decoxymethyl)-1-benzimidazol-1-iumyl]methyl]-3-pyridinecarboxamide chloride IUPAC Name: N-[[3-(decoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride Traditional Name: N-[[3-(decoxymethyl)benzimidazol-1-ium-1-yl]methyl]nicotinamide chloride Formula: C25H35ClN4O2 MolecularWeight: 459.024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3.[Cl-]

Isomeric SMILES

CCCCCCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3.[Cl-]

InChI

InChI=1S/C25H34N4O2.ClH/c1-2-3-4-5-6-7-8-11-17-31-21-29-20-28(23-14-9-10-15-24(23)29)19-27-25(30)22-13-12-16-26-18-22;/h9-10,12-16,18,20H,2-8,11,17,19,21H2,1H3;1H