Basic information
- CAS
24464-09-3- Standard SMILES
Cc1[nH+]ccc2ccc(-c3ccccc3)cc12.[Cl-]- InChIKey
ZXHYXHSCSSLANR-UHFFFAOYSA-N- Molecular formula
- C16H14ClN
- Average molar mass
- 255.74 g/mol
- Monoisotopic mass
- 255.0814771
Names & identifiers
- Preferred name
- 1-Methyl-7-phenylisoquinoline--hydrogen chloride (1/1)
- IUPAC
- 1-methyl-7-phenylisoquinolin-2-ium chloride
Names & synonyms
24464-09-3DTXSID209473471-Methyl-7-phenylisoquinoline--hydrogen chloride (1/1)RefChem:1055830DTXCID7013756071-Methyl-7-phenylisoquinoline hydrochlorideISOQUINOLINE, 1-METHYL-7-PHENYL-, HYDROCHLORIDE
Database identifiers
- CAS
24464-09-3- PubChem CID
- 32391
Properties
Computed structural properties
- Topological polar surface area
- 14.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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