dibutyl-methyl-(3-oxidanylidene-1-tetradecoxy-tetradecan-2-yl)azanium; methyl sulfate

Systemtic Name: dibutyl-methyl-(3-oxidanylidene-1-tetradecoxy-tetradecan-2-yl)azanium; methyl sulfate Openeye Name: dibutyl-methyl-[2-oxo-1-(tetradecoxymethyl)tridecyl]ammonium; methyl sulfate CAS Name: dibutyl-methyl-(3-oxo-1-tetradecoxytetradecan-2-yl)ammonium; methyl sulfate IUPAC Name: dibutyl-methyl-(3-oxo-1-tetradecoxytetradecan-2-yl)azanium; methyl sulfate Traditional Name: dibutyl-[2-keto-1-(myristyloxymethyl)tridecyl]-methyl-ammonium; methyl sulfate Formula: C38H79NO6S MolecularWeight: 678.10196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC(C(=O)CCCCCCCCCCC)[N+](C)(CCCC)CCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOCC(C(=O)CCCCCCCCCCC)[N+](C)(CCCC)CCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C37H76NO2.CH4O4S/c1-6-10-14-16-18-20-21-22-24-26-28-30-34-40-35-36(38(5,32-12-8-3)33-13-9-4)37(39)31-29-27-25-23-19-17-15-11-7-2;1-5-6(2,3)4/h36H,6-35H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1