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

Systemtic Name: methyl-(3-oxidanylidene-1-tetradecoxy-tetradecan-2-yl)-dipropyl-azanium; methyl sulfate Openeye Name: methyl-[2-oxo-1-(tetradecoxymethyl)tridecyl]-dipropyl-ammonium; methyl sulfate CAS Name: methyl-(3-oxo-1-tetradecoxytetradecan-2-yl)-dipropylammonium; methyl sulfate IUPAC Name: methyl-(3-oxo-1-tetradecoxytetradecan-2-yl)-dipropylazanium; methyl sulfate Traditional Name: [2-keto-1-(myristyloxymethyl)tridecyl]-methyl-dipropyl-ammonium; methyl sulfate Formula: C36H75NO6S MolecularWeight: 650.0488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H72NO2.CH4O4S/c1-6-10-12-14-16-18-19-20-22-24-26-28-32-38-33-34(36(5,30-8-3)31-9-4)35(37)29-27-25-23-21-17-15-13-11-7-2;1-5-6(2,3)4/h34H,6-33H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1