1-heptatriacontan-19-yl-3-methyl-benzimidazol-3-ium chloride

Systemtic Name: 1-heptatriacontan-19-yl-3-methyl-benzimidazol-3-ium chloride Openeye Name: 1-methyl-3-(1-octadecylnonadecyl)benzimidazol-1-ium chloride CAS Name: 1-heptatriacontan-19-yl-3-methylbenzimidazol-3-ium chloride IUPAC Name: 1-heptatriacontan-19-yl-3-methylbenzimidazol-3-ium chloride Traditional Name: 1-methyl-3-(1-stearylnonadecyl)benzimidazol-1-ium chloride Formula: C45H83ClN2 MolecularWeight: 687.60692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)N1C=[N+](C2=CC=CC=C21)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)N1C=[N+](C2=CC=CC=C21)C.[Cl-]

InChI

InChI=1S/C45H83N2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-43(47-42-46(3)44-40-36-37-41-45(44)47)39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h36-37,40-43H,4-35,38-39H2,1-3H3;1H/q+1;/p-1