butyl-dimethyl-(3-oxidanylidene-2-tetradecoxy-tetradecan-2-yl)azanium chloride

Systemtic Name: butyl-dimethyl-(3-oxidanylidene-2-tetradecoxy-tetradecan-2-yl)azanium chloride Openeye Name: butyl-dimethyl-(1-methyl-2-oxo-1-tetradecoxy-tridecyl)ammonium chloride CAS Name: butyl-dimethyl-(3-oxo-2-tetradecoxytetradecan-2-yl)ammonium chloride IUPAC Name: butyl-dimethyl-(3-oxo-2-tetradecoxytetradecan-2-yl)azanium chloride Traditional Name: butyl-(2-keto-1-methyl-1-myristyloxy-tridecyl)-dimethyl-ammonium chloride Formula: C34H70ClNO2 MolecularWeight: 560.3781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H70NO2.ClH/c1-7-10-13-15-17-19-20-21-23-25-27-29-32-37-34(4,35(5,6)31-12-9-3)33(36)30-28-26-24-22-18-16-14-11-8-2;/h7-32H2,1-6H3;1H/q+1;/p-1