Basic information
- CAS
4956-15-4- Standard SMILES
CCOC(=O)C1(c2ccccc2)CC[N+](C)([O-])CC1.[Cl-]- InChIKey
HWLYBYWUQNGVTB-UHFFFAOYSA-M- Molecular formula
- C15H21ClNO3-
- Average molar mass
- 298.78 g/mol
- Monoisotopic mass
- 298.1209962
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide, hydrochloride
- IUPAC
- ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate chloride
Names & synonyms
ISONIPECOTIC ACID, 1-METHYL-4-PHENYL-, ETHYL ESTER, 1-OXIDE, HYDROCHLORIDE4956-15-4RefChem:10876441-Methyl-4-phenylisonipecotic acid ethyl ester 1-oxide hydrochlorideDolantin N-oxide hydrochloride
Database identifiers
- CAS
4956-15-4- PubChem CID
- 21066
Properties
Computed structural properties
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- -1
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…