N-[[3-(pentoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[3-(pentoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[3-(pentoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[3-(pentoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[3-(pentoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[3-(amoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]nicotinamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCN1C[NH+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCOCN1C[NH+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H26N4O2/c1-2-3-6-12-26-16-24-15-23(18-9-4-5-10-19(18)24)14-22-20(25)17-8-7-11-21-13-17/h4-5,7-11,13H,2-3,6,12,14-16H2,1H3,(H,22,25)/p+1