Basic information
- CAS
26372-86-1- Standard SMILES
CCC(C)C(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1- InChIKey
WSWDKMFWJOALEW-UHFFFAOYSA-N- Molecular formula
- C19H30NO2+
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.2276542
Overview
Pentapiperium metilsulfate is an alkylbenzene.
Names & identifiers
- Preferred name
- Pentapiperium
- IUPAC
- (1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate
Names & synonyms
PentapiperiumPentapiperium ionPentapiperium cationUNII-E550Z24M3IE550Z24M3I26372-86-1PIPERIDINIUM, 1,1-DIMETHYL-4-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)-RefChem:171456SCHEMBL1222217CHEMBL2111014CHEBI:134707(1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate
Show more names
Q27276880
Database identifiers
- CAS
26372-86-1- PubChem CID
- 27490
- ChEMBL
CHEMBL2111014- ChEBI
CHEBI:134707- UNII
- E550Z24M3I
- Nikkaji
- J20.408K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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