methyl sulfate; methyl-[2,2,2-tri(octadecan-2-yloxy)ethyl]azanium

Systemtic Name: methyl sulfate; methyl-[2,2,2-tri(octadecan-2-yloxy)ethyl]azanium Openeye Name: methyl sulfate; methyl-[2,2,2-tris(1-methylheptadecoxy)ethyl]ammonium CAS Name: methyl sulfate; methyl-[2,2,2-tri(octadecan-2-yloxy)ethyl]ammonium IUPAC Name: methyl sulfate; methyl-[2,2,2-tri(octadecan-2-yloxy)ethyl]azanium Traditional Name: methyl sulfate; methyl-[2,2,2-tris(1-methylheptadecoxy)ethyl]ammonium Formula: C58H121NO7S MolecularWeight: 976.64884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)OC(C[NH2+]C)(OC(C)CCCCCCCCCCCCCCCC)OC(C)CCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)OC(C[NH2+]C)(OC(C)CCCCCCCCCCCCCCCC)OC(C)CCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C57H117NO3.CH4O4S/c1-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-54(4)59-57(53-58-7,60-55(5)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-2)61-56(6)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-3;1-5-6(2,3)4/h54-56,58H,8-53H2,1-7H3;1H3,(H,2,3,4)