Basic information
- CAS
24464-14-0- Standard SMILES
CC1[NH2+]CCc2ccc(-c3ccccc3)cc21.[Cl-]- InChIKey
QLZQDLWTQZQWFH-UHFFFAOYSA-N- Molecular formula
- C16H18ClN
- Average molar mass
- 259.77 g/mol
- Monoisotopic mass
- 259.1127773
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-methyl-7-phenyl-, hydrochloride (1:1)
- IUPAC
- 1-methyl-7-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
24464-14-0RefChem:1087709Isoquinoline, 1,2,3,4-tetrahydro-1-methyl-7-phenyl-, hydrochloride (1:1)1-Methyl-7-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochlorideISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-METHYL-7-PHENYL-, HYDROCHLORIDE
Database identifiers
- CAS
24464-14-0- PubChem CID
- 32401
Properties
Computed structural properties
- Topological polar surface area
- 16.6 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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