2,4-di(hexadecanoyloxy)pentan-3-yl-(1-hydroxyethyl)azanium; methyl sulfate

Systemtic Name: 2,4-di(hexadecanoyloxy)pentan-3-yl-(1-hydroxyethyl)azanium; methyl sulfate Openeye Name: [2-hexadecanoyloxy-1-(1-hexadecanoyloxyethyl)propyl]-(1-hydroxyethyl)ammonium; methyl sulfate CAS Name: 2,4-bis(1-oxohexadecoxy)pentan-3-yl-(1-hydroxyethyl)ammonium; methyl sulfate IUPAC Name: 2,4-di(hexadecanoyloxy)pentan-3-yl-(1-hydroxyethyl)azanium; methyl sulfate Traditional Name: [2-hexadecanoyloxy-1-(1-hexadecanoyloxyethyl)propyl]-(1-hydroxyethyl)ammonium; methyl sulfate Formula: C40H81NO9S MolecularWeight: 752.13744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C)C(C(C)OC(=O)CCCCCCCCCCCCCCC)[NH2+]C(C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C)C(C(C)OC(=O)CCCCCCCCCCCCCCC)[NH2+]C(C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C39H77NO5.CH4O4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(42)44-34(3)39(40-36(5)41)35(4)45-38(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-6(2,3)4/h34-36,39-41H,6-33H2,1-5H3;1H3,(H,2,3,4)