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

Systemtic Name: 1,2,5-trimethyl-3-(octoxymethyl)benzimidazol-1-ium chloride Openeye Name: 1,2,5-trimethyl-3-(octoxymethyl)benzimidazol-1-ium chloride CAS Name: 1,2,5-trimethyl-3-(octoxymethyl)benzimidazol-1-ium chloride IUPAC Name: 1,2,5-trimethyl-3-(octoxymethyl)benzimidazol-1-ium chloride Traditional Name: 1,2,5-trimethyl-3-(octoxymethyl)benzimidazol-1-ium chloride Formula: C19H31ClN2O MolecularWeight: 338.91524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCN1C(=[N+](C2=C1C=C(C=C2)C)C)C.[Cl-]

Isomeric SMILES

CCCCCCCCOCN1C(=[N+](C2=C1C=C(C=C2)C)C)C.[Cl-]

InChI

InChI=1S/C19H31N2O.ClH/c1-5-6-7-8-9-10-13-22-15-21-17(3)20(4)18-12-11-16(2)14-19(18)21;/h11-12,14H,5-10,13,15H2,1-4H3;1H/q+1;/p-1