1-methyl-3-(octoxymethyl)-2-propyl-benzimidazol-1-ium chloride

Systemtic Name: 1-methyl-3-(octoxymethyl)-2-propyl-benzimidazol-1-ium chloride Openeye Name: 1-methyl-3-(octoxymethyl)-2-propyl-benzimidazol-1-ium chloride CAS Name: 1-methyl-3-(octoxymethyl)-2-propylbenzimidazol-1-ium chloride IUPAC Name: 1-methyl-3-(octoxymethyl)-2-propylbenzimidazol-1-ium chloride Traditional Name: 1-methyl-3-(octoxymethyl)-2-propyl-benzimidazol-1-ium chloride Formula: C20H33ClN2O MolecularWeight: 352.94182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCN1C2=CC=CC=C2[N+](=C1CCC)C.[Cl-]

Isomeric SMILES

CCCCCCCCOCN1C2=CC=CC=C2[N+](=C1CCC)C.[Cl-]

InChI

InChI=1S/C20H33N2O.ClH/c1-4-6-7-8-9-12-16-23-17-22-19-15-11-10-14-18(19)21(3)20(22)13-5-2;/h10-11,14-15H,4-9,12-13,16-17H2,1-3H3;1H/q+1;/p-1