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

Systemtic Name: N-[[3-(undecoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[3-(undecoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[3-(undecoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[3-(undecoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[3-(undecoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]nicotinamide Formula: C26H39N4O2+ MolecularWeight: 439.61346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOCN1C[NH+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCCCCCCCOCN1C[NH+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C26H38N4O2/c1-2-3-4-5-6-7-8-9-12-18-32-22-30-21-29(24-15-10-11-16-25(24)30)20-28-26(31)23-14-13-17-27-19-23/h10-11,13-17,19H,2-9,12,18,20-22H2,1H3,(H,28,31)/p+1