Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate

Substructure search Find similar structures

Basic information

CAS: 77967-13-6
Standard SMILES: CCC(C)OP(=O)(Oc1cccc([N+](C)(C)C)c1)OC(C)CC.COS(=O)(=O)[O-]
InChIKey: PRCOBLDZUHJLFC-UHFFFAOYSA-M
Molecular formula: C18H34NO8PS
Average molar mass: 455.5 g/mol
Monoisotopic mass: 455.17427521

Names & identifiers

Preferred name: Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate
IUPAC: [3-di(butan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium;methyl sulfate

Names & synonyms

Di-sec-butylphosphostigmineRo 3-039777967-13-6(m-Hydroxyphenyl)-trimethylammonium methylsulfate di-sec-butylphosphatem-(Di-sec-butylphosphato)-N-trimethylanilinium methylsulfateAMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, DI-sec-BUTYLPHOSPHATERefChem:319015DTXSID209992053-({Bis[(butan-2-yl)oxy]phosphoryl}oxy)-N,N,N-trimethylanilinium methyl sulfate

Database identifiers

CAS: 77967-13-6
PubChem CID: 53987
DTXSID: DTXSID20999205

Properties

Computed structural properties

Topological polar surface area: 120 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 29
Formal charge: 0
Complexity: 471

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…