3-(dodecoxymethyl)-1,2,5-trimethyl-benzimidazol-1-ium chloride

Systemtic Name: 3-(dodecoxymethyl)-1,2,5-trimethyl-benzimidazol-1-ium chloride Openeye Name: 3-(dodecoxymethyl)-1,2,5-trimethyl-benzimidazol-1-ium chloride CAS Name: 3-(dodecoxymethyl)-1,2,5-trimethylbenzimidazol-1-ium chloride IUPAC Name: 3-(dodecoxymethyl)-1,2,5-trimethylbenzimidazol-1-ium chloride Traditional Name: 3-(lauryloxymethyl)-1,2,5-trimethyl-benzimidazol-1-ium chloride Formula: C23H39ClN2O MolecularWeight: 395.02156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N2O.ClH/c1-5-6-7-8-9-10-11-12-13-14-17-26-19-25-21(3)24(4)22-16-15-20(2)18-23(22)25;/h15-16,18H,5-14,17,19H2,1-4H3;1H/q+1;/p-1