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(3-ethyl-3-hexadecyl-nonadecan-2-yl)azanium; methyl sulfate

(3-ethyl-3-hexadecyl-nonadecan-2-yl)azanium; methyl sulfate

Systemtic Name:(3-ethyl-3-hexadecyl-nonadecan-2-yl)azanium; methyl sulfate
Openeye Name:(2-ethyl-2-hexadecyl-1-methyl-octadecyl)ammonium; methyl sulfate
CAS Name:(3-ethyl-3-hexadecylnonadecan-2-yl)ammonium; methyl sulfate
IUPAC Name:(3-ethyl-3-hexadecylnonadecan-2-yl)azanium; methyl sulfate
Traditional Name:(2-cetyl-2-ethyl-1-methyl-octadecyl)ammonium; methyl sulfate
Formula: C38H81NO4S
MolecularWeight: 648.11904
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C37H77N.CH4O4S/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37(7-3,36(4)38)35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2;1-5-6(2,3)4/h36H,5-35,38H2,1-4H3;1H3,(H,2,3,4)


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