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

Systemtic Name: N-[[3-(dodecoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride Openeye Name: N-[[3-(dodecoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride CAS Name: N-[[3-(dodecoxymethyl)-1-benzimidazol-1-iumyl]methyl]-3-pyridinecarboxamide chloride IUPAC Name: N-[[3-(dodecoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride Traditional Name: N-[[3-(lauryloxymethyl)benzimidazol-1-ium-1-yl]methyl]nicotinamide chloride Formula: C27H39ClN4O2 MolecularWeight: 487.07716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3.[Cl-]

InChI

InChI=1S/C27H38N4O2.ClH/c1-2-3-4-5-6-7-8-9-10-13-19-33-23-31-22-30(25-16-11-12-17-26(25)31)21-29-27(32)24-15-14-18-28-20-24;/h11-12,14-18,20,22H,2-10,13,19,21,23H2,1H3;1H