ethyl-hexadecanoyl-(2-hydroxyethyl)-(2-oxidanylideneheptadecyl)azanium; methyl sulfate

Systemtic Name: ethyl-hexadecanoyl-(2-hydroxyethyl)-(2-oxidanylideneheptadecyl)azanium; methyl sulfate Openeye Name: ethyl-hexadecanoyl-(2-hydroxyethyl)-(2-oxoheptadecyl)ammonium; methyl sulfate CAS Name: ethyl-(2-hydroxyethyl)-(2-oxoheptadecyl)-(1-oxohexadecyl)ammonium; methyl sulfate IUPAC Name: ethyl-hexadecanoyl-(2-hydroxyethyl)-(2-oxoheptadecyl)azanium; methyl sulfate Traditional Name: ethyl-hexadecanoyl-(2-hydroxyethyl)-(2-ketoheptadecyl)ammonium; methyl sulfate Formula: C38H77NO7S MolecularWeight: 692.08548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C[N+](CC)(CCO)C(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C[N+](CC)(CCO)C(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C37H74NO3.CH4O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-36(40)35-38(6-3,33-34-39)37(41)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-5-6(2,3)4/h39H,4-35H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1