3-(dodecoxymethyl)-5-ethoxy-1-methyl-benzimidazol-1-ium chloride

Systemtic Name: 3-(dodecoxymethyl)-5-ethoxy-1-methyl-benzimidazol-1-ium chloride Openeye Name: 3-(dodecoxymethyl)-5-ethoxy-1-methyl-benzimidazol-1-ium chloride CAS Name: 3-(dodecoxymethyl)-5-ethoxy-1-methylbenzimidazol-1-ium chloride IUPAC Name: 3-(dodecoxymethyl)-5-ethoxy-1-methylbenzimidazol-1-ium chloride Traditional Name: 5-ethoxy-3-(lauryloxymethyl)-1-methyl-benzimidazol-1-ium chloride Formula: C23H39ClN2O2 MolecularWeight: 411.02096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCN1C=[N+](C2=C1C=C(C=C2)OCC)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOCN1C=[N+](C2=C1C=C(C=C2)OCC)C.[Cl-]

InChI

InChI=1S/C23H39N2O2.ClH/c1-4-6-7-8-9-10-11-12-13-14-17-26-20-25-19-24(3)22-16-15-21(27-5-2)18-23(22)25;/h15-16,18-19H,4-14,17,20H2,1-3H3;1H/q+1;/p-1