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2-hexadecyl-1,1-dimethyl-benzimidazol-1-ium sulfate

2-hexadecyl-1,1-dimethyl-benzimidazol-1-ium sulfate

Systemtic Name:2-hexadecyl-1,1-dimethyl-benzimidazol-1-ium sulfate
Openeye Name:2-hexadecyl-1,1-dimethyl-benzimidazol-1-ium sulfate
CAS Name:2-hexadecyl-1,1-dimethylbenzimidazol-1-ium sulfate
IUPAC Name:2-hexadecyl-1,1-dimethylbenzimidazol-1-ium sulfate
Traditional Name:2-cetyl-1,1-dimethyl-benzimidazol-1-ium sulfate
Formula: C25H43N2O4S-
MolecularWeight: 467.68492
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=NC2=CC=CC=C2[N+]1(C)C.[O-]S(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCC1=NC2=CC=CC=C2[N+]1(C)C.[O-]S(=O)(=O)[O-]


InChI

InChI=1S/C25H43N2.H2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26-23-20-18-19-21-24(23)27(25,2)3;1-5(2,3)4/h18-21H,4-17,22H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2


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