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di(dodecan-3-yl)-(2-hydroxyethyl)-methyl-azanium; methyl sulfate

di(dodecan-3-yl)-(2-hydroxyethyl)-methyl-azanium; methyl sulfate

Systemtic Name:di(dodecan-3-yl)-(2-hydroxyethyl)-methyl-azanium; methyl sulfate
Openeye Name:bis(1-ethyldecyl)-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate
CAS Name:di(dodecan-3-yl)-(2-hydroxyethyl)-methylammonium; methyl sulfate
IUPAC Name:di(dodecan-3-yl)-(2-hydroxyethyl)-methylazanium; methyl sulfate
Traditional Name:bis(1-ethyldecyl)-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate
Formula: C28H61NO5S
MolecularWeight: 523.85264
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC)[N+](C)(CCO)C(CC)CCCCCCCCC.COS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCC(CC)[N+](C)(CCO)C(CC)CCCCCCCCC.COS(=O)(=O)[O-]


InChI

InChI=1S/C27H58NO.CH4O4S/c1-6-10-12-14-16-18-20-22-26(8-3)28(5,24-25-29)27(9-4)23-21-19-17-15-13-11-7-2;1-5-6(2,3)4/h26-27,29H,6-25H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1


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