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

Systemtic Name: N-[[3-(undecoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride Openeye Name: N-[[3-(undecoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride CAS Name: N-[[3-(undecoxymethyl)-1-benzimidazol-1-iumyl]methyl]-3-pyridinecarboxamide chloride IUPAC Name: N-[[3-(undecoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride Traditional Name: N-[[3-(undecoxymethyl)benzimidazol-1-ium-1-yl]methyl]nicotinamide chloride Formula: C26H37ClN4O2 MolecularWeight: 473.05058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3.[Cl-]

Isomeric SMILES

CCCCCCCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3.[Cl-]

InChI

InChI=1S/C26H36N4O2.ClH/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;/h10-11,13-17,19,21H,2-9,12,18,20,22H2,1H3;1H