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

Systemtic Name: butyl-dimethyl-(3-oxidanylidene-1-tetradecoxy-tetradecan-2-yl)azanium; methyl sulfate Openeye Name: butyl-dimethyl-[2-oxo-1-(tetradecoxymethyl)tridecyl]ammonium; methyl sulfate CAS Name: butyl-dimethyl-(3-oxo-1-tetradecoxytetradecan-2-yl)ammonium; methyl sulfate IUPAC Name: butyl-dimethyl-(3-oxo-1-tetradecoxytetradecan-2-yl)azanium; methyl sulfate Traditional Name: butyl-[2-keto-1-(myristyloxymethyl)tridecyl]-dimethyl-ammonium; methyl sulfate Formula: C35H73NO6S MolecularWeight: 636.02222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H70NO2.CH4O4S/c1-6-9-12-14-16-18-19-20-22-24-26-28-31-37-32-33(35(4,5)30-11-8-3)34(36)29-27-25-23-21-17-15-13-10-7-2;1-5-6(2,3)4/h33H,6-32H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1