dimethyl-bis[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium; methyl sulfate

Systemtic Name: dimethyl-bis[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium; methyl sulfate Openeye Name: dimethyl-bis[3-[[(Z)-octadec-9-enoyl]amino]propyl]ammonium; methyl sulfate CAS Name: dimethyl-bis[3-[[(Z)-1-oxooctadec-9-enyl]amino]propyl]ammonium; methyl sulfate IUPAC Name: dimethyl-bis[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium; methyl sulfate Traditional Name: dimethyl-bis[3-[[(Z)-octadec-9-enoyl]amino]propyl]ammonium; methyl sulfate Formula: C45H89N3O6S MolecularWeight: 800.26966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H85N3O2.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-43(48)45-39-35-41-47(3,4)42-36-40-46-44(49)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h19-22H,5-18,23-42H2,1-4H3,(H-,45,46,48,49);1H3,(H,2,3,4)/b21-19-,22-20-;