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

Systemtic Name: 3-(decoxymethyl)-1,2,5-trimethyl-benzimidazol-1-ium chloride Openeye Name: 3-(decoxymethyl)-1,2,5-trimethyl-benzimidazol-1-ium chloride CAS Name: 3-(decoxymethyl)-1,2,5-trimethylbenzimidazol-1-ium chloride IUPAC Name: 3-(decoxymethyl)-1,2,5-trimethylbenzimidazol-1-ium chloride Traditional Name: 3-(decoxymethyl)-1,2,5-trimethyl-benzimidazol-1-ium chloride Formula: C21H35ClN2O MolecularWeight: 366.9684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N2O.ClH/c1-5-6-7-8-9-10-11-12-15-24-17-23-19(3)22(4)20-14-13-18(2)16-21(20)23;/h13-14,16H,5-12,15,17H2,1-4H3;1H/q+1;/p-1