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

Systemtic Name: dibutyl-methyl-(3-oxidanylidene-2-tetradecoxy-tetradecan-2-yl)azanium chloride Openeye Name: dibutyl-methyl-(1-methyl-2-oxo-1-tetradecoxy-tridecyl)ammonium chloride CAS Name: dibutyl-methyl-(3-oxo-2-tetradecoxytetradecan-2-yl)ammonium chloride IUPAC Name: dibutyl-methyl-(3-oxo-2-tetradecoxytetradecan-2-yl)azanium chloride Traditional Name: dibutyl-(2-keto-1-methyl-1-myristyloxy-tridecyl)-methyl-ammonium chloride Formula: C37H76ClNO2 MolecularWeight: 602.45784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H76NO2.ClH/c1-7-11-15-17-19-21-22-23-25-27-29-31-35-40-37(5,38(6,33-13-9-3)34-14-10-4)36(39)32-30-28-26-24-20-18-16-12-8-2;/h7-35H2,1-6H3;1H/q+1;/p-1