Basic information
- CAS
83514-04-9- Standard SMILES
CC(C)[N+](C)(C)CC(O)CC1(Oc2ccccc2)CCCCC1.[Cl-]- InChIKey
WTZRQXBWSJKNGV-UHFFFAOYSA-M- Molecular formula
- C20H34ClNO2
- Average molar mass
- 355.9 g/mol
- Monoisotopic mass
- 355.227807
Names & identifiers
- Preferred name
- VULM 411
- IUPAC
- [2-hydroxy-3-(1-phenoxycyclohexyl)propyl]-dimethyl-propan-2-ylazanium chloride
- English name
- VULM 411
- Molecular formula
- C20H34ClNO2
- Molecular weight
- 355.95
Names & synonyms
Vulm 411Vulm-41183514-04-9DTXSID8010034932-hydroxy-N,N-dimethyl-3-(1-phenoxycyclohexyl)-N-(propan-2-yl)propan-1-aminium chlorideRefChem:194702Cyclohexanepropanaminium, beta-hydroxy-N,N-dimethyl-N-(1-methylethyl)-1-phenoxy-, chloride[2-hydroxy-3-(1-phenoxycyclohexyl)propyl]-dimethyl-propan-2-ylazanium;chloride(3-(1-Cyclohexylphenoxy)-2-hydroxypropyl)isopropyldimethylammonium chloride
Database identifiers
- CAS
83514-04-9- PubChem CID
- 134292
- DTXSID
DTXSID801003493
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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