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4-hexadecylhenicosan-2-ylazanium; methyl sulfate

4-hexadecylhenicosan-2-ylazanium; methyl sulfate

Systemtic Name:4-hexadecylhenicosan-2-ylazanium; methyl sulfate
Openeye Name:(3-hexadecyl-1-methyl-icosyl)ammonium; methyl sulfate
CAS Name:4-hexadecylheneicosan-2-ylammonium; methyl sulfate
IUPAC Name:4-hexadecylhenicosan-2-ylazanium; methyl sulfate
Traditional Name:(3-cetyl-1-methyl-eicosyl)ammonium; methyl sulfate
Formula: C38H81NO4S
MolecularWeight: 648.11904
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)CC(C)[NH3+].COS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)CC(C)[NH3+].COS(=O)(=O)[O-]


InChI

InChI=1S/C37H77N.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37(35-36(3)38)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h36-37H,4-35,38H2,1-3H3;1H3,(H,2,3,4)


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