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1-butyl-3-(hexadecoxymethyl)benzimidazol-3-ium chloride

1-butyl-3-(hexadecoxymethyl)benzimidazol-3-ium chloride

Systemtic Name:1-butyl-3-(hexadecoxymethyl)benzimidazol-3-ium chloride
Openeye Name:1-butyl-3-(hexadecoxymethyl)benzimidazol-3-ium chloride
CAS Name:1-butyl-3-(hexadecoxymethyl)benzimidazol-3-ium chloride
IUPAC Name:1-butyl-3-(hexadecoxymethyl)benzimidazol-3-ium chloride
Traditional Name:1-butyl-3-(cetyloxymethyl)benzimidazol-3-ium chloride
Formula: C28H49ClN2O
MolecularWeight: 465.15446
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC[N+]1=CN(C2=CC=CC=C21)CCCC.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCOC[N+]1=CN(C2=CC=CC=C21)CCCC.[Cl-]


InChI

InChI=1S/C28H49N2O.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-24-31-26-30-25-29(23-6-4-2)27-21-18-19-22-28(27)30;/h18-19,21-22,25H,3-17,20,23-24,26H2,1-2H3;1H/q+1;/p-1


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