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

Systemtic Name: methyl-bis[2-(octadecanoylamino)ethyl]azanium; methyl sulfate Openeye Name: methyl-bis[2-(octadecanoylamino)ethyl]ammonium; methyl sulfate CAS Name: methyl-bis[2-(1-oxooctadecylamino)ethyl]ammonium; methyl sulfate IUPAC Name: methyl-bis[2-(octadecanoylamino)ethyl]azanium; methyl sulfate Traditional Name: methyl-bis(2-stearamidoethyl)ammonium; methyl sulfate Formula: C42H87N3O6S MolecularWeight: 762.22168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC[NH+](C)CCNC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC[NH+](C)CCNC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C41H83N3O2.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(45)42-36-38-44(3)39-37-43-41(46)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-39H2,1-3H3,(H,42,45)(H,43,46);1H3,(H,2,3,4)