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

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

Systemtic Name:1-heptatriacontan-19-yl-3-methyl-benzimidazol-3-ium
Openeye Name:1-methyl-3-(1-octadecylnonadecyl)benzimidazol-1-ium
CAS Name:1-heptatriacontan-19-yl-3-methylbenzimidazol-3-ium
IUPAC Name:1-heptatriacontan-19-yl-3-methylbenzimidazol-3-ium
Traditional Name:1-methyl-3-(1-stearylnonadecyl)benzimidazol-1-ium
Formula: C45H83N2+
MolecularWeight: 652.15392
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C45H83N2/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/q+1


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