[3-di(propan-2-yloxy)phosphoryl-1,2-oxazol-5-yl]methyl-dodecyl-dimethyl-azanium bromide

Systemtic Name: [3-di(propan-2-yloxy)phosphoryl-1,2-oxazol-5-yl]methyl-dodecyl-dimethyl-azanium bromide Openeye Name: (3-diisopropoxyphosphorylisoxazol-5-yl)methyl-dodecyl-dimethyl-ammonium bromide CAS Name: [3-di(propan-2-yloxy)phosphoryl-5-isoxazolyl]methyl-dodecyl-dimethylammonium bromide IUPAC Name: [3-di(propan-2-yloxy)phosphoryl-1,2-oxazol-5-yl]methyl-dodecyl-dimethylazanium bromide Traditional Name: (3-diisopropoxyphosphorylisoxazol-5-yl)methyl-lauryl-dimethyl-ammonium bromide Formula: C24H48BrN2O4P MolecularWeight: 539.526681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC(=NO1)P(=O)(OC(C)C)OC(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC(=NO1)P(=O)(OC(C)C)OC(C)C.[Br-]

InChI

InChI=1S/C24H48N2O4P.BrH/c1-8-9-10-11-12-13-14-15-16-17-18-26(6,7)20-23-19-24(25-28-23)31(27,29-21(2)3)30-22(4)5;/h19,21-22H,8-18,20H2,1-7H3;1H/q+1;/p-1