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

Systemtic Name: 3-(decoxymethyl)-5-ethoxy-1-methyl-benzimidazol-1-ium chloride Openeye Name: 3-(decoxymethyl)-5-ethoxy-1-methyl-benzimidazol-1-ium chloride CAS Name: 3-(decoxymethyl)-5-ethoxy-1-methylbenzimidazol-1-ium chloride IUPAC Name: 3-(decoxymethyl)-5-ethoxy-1-methylbenzimidazol-1-ium chloride Traditional Name: 3-(decoxymethyl)-5-ethoxy-1-methyl-benzimidazol-1-ium chloride Formula: C21H35ClN2O2 MolecularWeight: 382.9678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCN1C=[N+](C2=C1C=C(C=C2)OCC)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCOCN1C=[N+](C2=C1C=C(C=C2)OCC)C.[Cl-]

InChI

InChI=1S/C21H35N2O2.ClH/c1-4-6-7-8-9-10-11-12-15-24-18-23-17-22(3)20-14-13-19(25-5-2)16-21(20)23;/h13-14,16-17H,4-12,15,18H2,1-3H3;1H/q+1;/p-1