Basic information
- CAS
3196-50-7- Standard SMILES
CC1=[N+](C)C2CCC1(c1ccccc1)c1ccccc12.[Cl-]- InChIKey
KMXCFLDVCWKIMR-UHFFFAOYSA-M- Molecular formula
- C19H20ClN
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.1284273
Names & identifiers
- Preferred name
- 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride
- IUPAC
- 9,10-dimethyl-1-phenyl-9-azoniatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene chloride
Names & synonyms
OL20DI71HV1,4-DIHYDRO-2,3-DIMETHYL-4-PHENYL-1,4-ETHANOISOQUINOLIUM CHLORIDERefChem:10532763196-50-71,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolinium chlorideSU 14074SU-140749,10-dimethyl-1-phenyl-9-azoniatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene;chloride1,4-Ethanoisoquinolinium, 1,4-dihydro-2,3-dimethyl-4-phenyl-, chlorideUNII-OL20DI71HVorb1695146DTXSID80953848
Show more names
AKOS040754100T347291,4-ETHANOISOQUINOLINIUM, 1,4-DIHYDRO-2,3-DIMETHYL-4-PHENYL-, CHLORIDE (1:1)9,10-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,4-(azenometheno)naphthalen-10-ium chloride
Database identifiers
- CAS
3196-50-7- PubChem CID
- 18532
- DTXSID
DTXSID80953848- UNII
- OL20DI71HV
Properties
Computed structural properties
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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