Basic information
- CAS
101832-91-1- Standard SMILES
[Cl-].c1ccc(C[NH+]2CCCCC2Cc2c[nH]c3ccccc23)cc1- InChIKey
VVXGYZGPPPRRGM-UHFFFAOYSA-N- Molecular formula
- C21H25ClN2
- Average molar mass
- 340.9 g/mol
- Monoisotopic mass
- 340.1706265
Names & identifiers
- Preferred name
- 1H-Indole, 3-((1-(phenylmethyl)-2-piperidinyl)methyl)-, hydrochloride (1:1)
- IUPAC
- 3-[(1-benzylpiperidin-1-ium-2-yl)methyl]-1H-indole chloride
Names & synonyms
101832-91-1RefChem:10581581H-Indole, 3-((1-(phenylmethyl)-2-piperidinyl)methyl)-, hydrochloride (1:1)3-(N-Benzyl-2-piperidinomethyl)indole hydrochlorideINDOLE, 3-(1-BENZYL-2-PIPERIDYLMETHYL)-, HYDROCHLORIDE
Database identifiers
- CAS
101832-91-1- PubChem CID
- 59025
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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