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2-heptadecyl-1-methyl-benzimidazole; methyl sulfate

2-heptadecyl-1-methyl-benzimidazole; methyl sulfate

Systemtic Name:2-heptadecyl-1-methyl-benzimidazole; methyl sulfate
Openeye Name:2-heptadecyl-1-methyl-benzimidazole; methyl sulfate
CAS Name:2-heptadecyl-1-methylbenzimidazole; methyl sulfate
IUPAC Name:2-heptadecyl-1-methylbenzimidazole; methyl sulfate
Traditional Name:2-heptadecyl-1-methyl-benzimidazole; methyl sulfate
Formula: C26H45N2O4S-
MolecularWeight: 481.7115
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC2=CC=CC=C2N1C.COS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC2=CC=CC=C2N1C.COS(=O)(=O)[O-]


InChI

InChI=1S/C25H42N2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26-23-20-18-19-21-24(23)27(25)2;1-5-6(2,3)4/h18-21H,3-17,22H2,1-2H3;1H3,(H,2,3,4)/p-1


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