bis[2-(dodecanoylamino)ethyl]-dimethyl-azanium; methyl sulfate

Systemtic Name: bis[2-(dodecanoylamino)ethyl]-dimethyl-azanium; methyl sulfate Openeye Name: bis[2-(dodecanoylamino)ethyl]-dimethyl-ammonium; methyl sulfate CAS Name: dimethyl-bis[2-(1-oxododecylamino)ethyl]ammonium; methyl sulfate IUPAC Name: bis[2-(dodecanoylamino)ethyl]-dimethylazanium; methyl sulfate Traditional Name: bis[2-(lauroylamino)ethyl]-dimethyl-ammonium; methyl sulfate Formula: C31H65N3O6S MolecularWeight: 607.9293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCC[N+](C)(C)CCNC(=O)CCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC[N+](C)(C)CCNC(=O)CCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C30H61N3O2.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-29(34)31-25-27-33(3,4)28-26-32-30(35)24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h5-28H2,1-4H3,(H-,31,32,34,35);1H3,(H,2,3,4)