bis[(E)-hexadec-4-enyl]-dimethyl-azanium; methyl sulfate

Systemtic Name: bis[(E)-hexadec-4-enyl]-dimethyl-azanium; methyl sulfate Openeye Name: bis[(E)-hexadec-4-enyl]-dimethyl-ammonium; methyl sulfate CAS Name: bis[(E)-hexadec-4-enyl]-dimethylammonium; methyl sulfate IUPAC Name: bis[(E)-hexadec-4-enyl]-dimethylazanium; methyl sulfate Traditional Name: bis[(E)-hexadec-4-enyl]-dimethyl-ammonium; methyl sulfate Formula: C35H71NO4S MolecularWeight: 602.00754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCC/C=C/CCC[N+](CCC/C=C/CCCCCCCCCCC)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C34H68N.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h25-28H,5-24,29-34H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1/b27-25+,28-26+;