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

Systemtic Name: 5-chloranyl-1,2-dimethyl-3-(octoxymethyl)benzimidazol-1-ium chloride Openeye Name: 5-chloro-1,2-dimethyl-3-(octoxymethyl)benzimidazol-1-ium chloride CAS Name: 5-chloro-1,2-dimethyl-3-(octoxymethyl)benzimidazol-1-ium chloride IUPAC Name: 5-chloro-1,2-dimethyl-3-(octoxymethyl)benzimidazol-1-ium chloride Traditional Name: 5-chloro-1,2-dimethyl-3-(octoxymethyl)benzimidazol-1-ium chloride Formula: C18H28Cl2N2O MolecularWeight: 359.33372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN2O.ClH/c1-4-5-6-7-8-9-12-22-14-21-15(2)20(3)17-11-10-16(19)13-18(17)21;/h10-11,13H,4-9,12,14H2,1-3H3;1H/q+1;/p-1