dimethyl-bis[(E)-octadec-9-enoyl]azanium; methyl sulfate

Systemtic Name: dimethyl-bis[(E)-octadec-9-enoyl]azanium; methyl sulfate Openeye Name: dimethyl-bis[(E)-octadec-9-enoyl]ammonium; methyl sulfate CAS Name: dimethyl-bis[(E)-1-oxooctadec-9-enyl]ammonium; methyl sulfate IUPAC Name: dimethyl-bis[(E)-octadec-9-enoyl]azanium; methyl sulfate Traditional Name: dimethyl-bis[(E)-octadec-9-enoyl]ammonium; methyl sulfate Formula: C39H75NO6S MolecularWeight: 686.0809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[N+](C)(C)C(=O)CCCCCCCC=CCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[N+](C(=O)CCCCCCC/C=C/CCCCCCCC)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C38H72NO2.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(40)39(3,4)38(41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h19-22H,5-18,23-36H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1/b21-19+,22-20+;