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dimethyl-bis(16-methylheptadecyl)azanium; methyl sulfate

dimethyl-bis(16-methylheptadecyl)azanium; methyl sulfate

Systemtic Name:dimethyl-bis(16-methylheptadecyl)azanium; methyl sulfate
Openeye Name:dimethyl-bis(16-methylheptadecyl)ammonium; methyl sulfate
CAS Name:dimethyl-bis(16-methylheptadecyl)ammonium; methyl sulfate
IUPAC Name:dimethyl-bis(16-methylheptadecyl)azanium; methyl sulfate
Traditional Name:dimethyl-bis(16-methylheptadecyl)ammonium; methyl sulfate
Formula: C39H83NO4S
MolecularWeight: 662.14562
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC(C)C.COS(=O)(=O)[O-]


Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC(C)C.COS(=O)(=O)[O-]


InChI

InChI=1S/C38H80N.CH4O4S/c1-37(2)33-29-25-21-17-13-9-7-11-15-19-23-27-31-35-39(5,6)36-32-28-24-20-16-12-8-10-14-18-22-26-30-34-38(3)4;1-5-6(2,3)4/h37-38H,7-36H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1


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