methyl-dioctyl-(3-oxidanylidene-2-tetradecoxy-tetradecan-2-yl)azanium chloride

Systemtic Name: methyl-dioctyl-(3-oxidanylidene-2-tetradecoxy-tetradecan-2-yl)azanium chloride Openeye Name: methyl-(1-methyl-2-oxo-1-tetradecoxy-tridecyl)-dioctyl-ammonium chloride CAS Name: methyl-dioctyl-(3-oxo-2-tetradecoxytetradecan-2-yl)ammonium chloride IUPAC Name: methyl-dioctyl-(3-oxo-2-tetradecoxytetradecan-2-yl)azanium chloride Traditional Name: (2-keto-1-methyl-1-myristyloxy-tridecyl)-methyl-dioctyl-ammonium chloride Formula: C45H92ClNO2 MolecularWeight: 714.67048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(C)(C(=O)CCCCCCCCCCC)[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCOC(C)(C(=O)CCCCCCCCCCC)[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-]

InChI

InChI=1S/C45H92NO2.ClH/c1-7-11-15-19-23-25-26-27-29-31-35-39-43-48-45(5,44(47)40-36-32-30-28-24-20-16-12-8-2)46(6,41-37-33-21-17-13-9-3)42-38-34-22-18-14-10-4;/h7-43H2,1-6H3;1H/q+1;/p-1