Basic information
- CAS
97467-07-7- Standard SMILES
C[N+]1=CC=C(c2ccccc2)CC1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
UBXLPXKVQXPGCD-UHFFFAOYSA-M- Molecular formula
- C12H14ClNO4
- Average molar mass
- 271.69 g/mol
- Monoisotopic mass
- 271.0611356
Names & identifiers
- Preferred name
- Pyridinium, 2,3-dihydro-1-methyl-4-phenyl-, perchlorate
- IUPAC
- 1-methyl-4-phenyl-2,3-dihydropyridin-1-ium perchlorate
Names & synonyms
CCRIS 21891-Methyl-4-phenyl-2,3-dihydropyridinium perchlorate97467-07-7Pyridinium, 2,3-dihydro-1-methyl-4-phenyl-, perchlorateDTXSID60242989RefChem:377092DTXCID40165480CHEMBL260950SCHEMBL22675851-methyl-4-phenyl-2,3-dihydropyridin-1-ium perchlorateSCHEMBL30294130
Database identifiers
- CAS
97467-07-7- PubChem CID
- 150458
- DTXSID
DTXSID60242989- ChEMBL
CHEMBL260950
Properties
Computed structural properties
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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