2-hydroxyethyl-methyl-[17-methyl-16,18-bis(oxidanylidene)tritriacontan-17-yl]azanium; methyl sulfate

Systemtic Name: 2-hydroxyethyl-methyl-[17-methyl-16,18-bis(oxidanylidene)tritriacontan-17-yl]azanium; methyl sulfate Openeye Name: (1-hexadecanoyl-1-methyl-2-oxo-heptadecyl)-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-methyl-(17-methyl-16,18-dioxotritriacontan-17-yl)ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-methyl-(17-methyl-16,18-dioxotritriacontan-17-yl)azanium; methyl sulfate Traditional Name: (1-hexadecanoyl-2-keto-1-methyl-heptadecyl)-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate Formula: C38H77NO7S MolecularWeight: 692.08548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H73NO3.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(40)37(3,38(4)33-34-39)36(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h39H,5-34H2,1-4H3;1H3,(H,2,3,4)