Basic information
- CAS
24464-13-9- Standard SMILES
[Cl-].c1ccc(-c2ccc3c(c2)C[NH2+]CC3)cc1- InChIKey
STHNYDGTKSXUKF-UHFFFAOYSA-N- Molecular formula
- C15H16ClN
- Average molar mass
- 245.74 g/mol
- Monoisotopic mass
- 245.0971272
Overview
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Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-7-phenyl-, hydrochloride
- IUPAC
- 7-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-7-PHENYL-, HYDROCHLORIDE
Database identifiers
- CAS
24464-13-9- PubChem CID
- 32399
Properties
Computed structural properties
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
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Compound notes
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