dimethyl-bis[2-[(E)-octadec-9-enoyl]oxypropan-2-yl]azanium; methyl sulfate

Systemtic Name: dimethyl-bis[2-[(E)-octadec-9-enoyl]oxypropan-2-yl]azanium; methyl sulfate Openeye Name: dimethyl-bis[1-methyl-1-[(E)-octadec-9-enoyl]oxy-ethyl]ammonium; methyl sulfate CAS Name: dimethyl-bis[2-[(E)-1-oxooctadec-9-enoxy]propan-2-yl]ammonium; methyl sulfate IUPAC Name: dimethyl-bis[2-[(E)-octadec-9-enoyl]oxypropan-2-yl]azanium; methyl sulfate Traditional Name: dimethyl-bis[1-methyl-1-[(E)-octadec-9-enoyl]oxy-ethyl]ammonium; methyl sulfate Formula: C45H87NO8S MolecularWeight: 802.23918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H84NO4.CH4O4S/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41(46)48-43(3,4)45(7,8)44(5,6)49-42(47)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2;1-5-6(2,3)4/h23-26H,9-22,27-40H2,1-8H3;1H3,(H,2,3,4)/q+1;/p-1/b25-23+,26-24+;