[1,1-bis[[(E)-octadec-9-enoyl]amino]-2-oxidanyl-ethyl]-methyl-azanium; methyl sulfate

Systemtic Name: [1,1-bis[[(E)-octadec-9-enoyl]amino]-2-oxidanyl-ethyl]-methyl-azanium; methyl sulfate Openeye Name: [2-hydroxy-1,1-bis[[(E)-octadec-9-enoyl]amino]ethyl]-methyl-ammonium; methyl sulfate CAS Name: [2-hydroxy-1,1-bis[[(E)-1-oxooctadec-9-enyl]amino]ethyl]-methylammonium; methyl sulfate IUPAC Name: [2-hydroxy-1,1-bis[[(E)-octadec-9-enoyl]amino]ethyl]-methylazanium; methyl sulfate Traditional Name: [2-hydroxy-1,1-bis[[(E)-octadec-9-enoyl]amino]ethyl]-methyl-ammonium; methyl sulfate Formula: C40H79N3O7S MolecularWeight: 746.13616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CO)([NH2+]C)NC(=O)CCCCCCCC=CCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(NC(=O)CCCCCCC/C=C/CCCCCCCC)([NH2+]C)CO.COS(=O)(=O)[O-]

InChI

InChI=1S/C39H75N3O3.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37(44)41-39(36-43,40-3)42-38(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,40,43H,4-17,22-36H2,1-3H3,(H,41,44)(H,42,45);1H3,(H,2,3,4)/b20-18+,21-19+;