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butyl-methyl-bis(6-methylheptyl)azanium; methyl sulfate

butyl-methyl-bis(6-methylheptyl)azanium; methyl sulfate

Systemtic Name:butyl-methyl-bis(6-methylheptyl)azanium; methyl sulfate
Openeye Name:butyl-methyl-bis(6-methylheptyl)ammonium; methyl sulfate
CAS Name:butyl-methyl-bis(6-methylheptyl)ammonium; methyl sulfate
IUPAC Name:butyl-methyl-bis(6-methylheptyl)azanium; methyl sulfate
Traditional Name:butyl-methyl-bis(6-methylheptyl)ammonium; methyl sulfate
Formula: C22H49NO4S
MolecularWeight: 423.69376
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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(CCCCCC(C)C)CCCCCC(C)C.COS(=O)(=O)[O-]


Isomeric SMILES

CCCC[N+](C)(CCCCCC(C)C)CCCCCC(C)C.COS(=O)(=O)[O-]


InChI

InChI=1S/C21H46N.CH4O4S/c1-7-8-17-22(6,18-13-9-11-15-20(2)3)19-14-10-12-16-21(4)5;1-5-6(2,3)4/h20-21H,7-19H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1


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