ethyl-hexadecanoyl-oxidanyl-(3-oxidanylideneoctadecan-2-yl)azanium; methyl sulfate

Systemtic Name: ethyl-hexadecanoyl-oxidanyl-(3-oxidanylideneoctadecan-2-yl)azanium; methyl sulfate Openeye Name: ethyl-hexadecanoyl-hydroxy-(1-methyl-2-oxo-heptadecyl)ammonium; methyl sulfate CAS Name: ethyl-hydroxy-(1-oxohexadecyl)-(3-oxooctadecan-2-yl)ammonium; methyl sulfate IUPAC Name: ethyl-hexadecanoyl-hydroxy-(3-oxooctadecan-2-yl)azanium; methyl sulfate Traditional Name: ethyl-hexadecanoyl-hydroxy-(2-keto-1-methyl-heptadecyl)ammonium; methyl sulfate Formula: C37H75NO7S MolecularWeight: 678.0589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H72NO3.CH4O4S/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-35(38)34(4)37(40,7-3)36(39)33-31-29-27-25-23-21-19-17-15-13-11-9-6-2;1-5-6(2,3)4/h34,40H,5-33H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1