Basic information
- CAS
7770-47-0- Standard SMILES
Cn1cc(CCc2cc[nH+]cc2)c2ccccc21.[Cl-]- InChIKey
CWOQYYCUEXUCCM-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2
- Average molar mass
- 272.77 g/mol
- Monoisotopic mass
- 272.1080262
Names & identifiers
- Preferred name
- 1H-Indole, 1-methyl-3-(2-(4-pyridinyl)ethyl)-, hydrochloride (1:1)
- IUPAC
- 1-methyl-3-(2-pyridin-1-ium-4-ylethyl)indole chloride
Names & synonyms
7770-47-0RefChem:10581531H-Indole, 1-methyl-3-(2-(4-pyridinyl)ethyl)-, hydrochloride (1:1)4-(N-Methyl-3-indolylethyl)pyridinium hydrochlorideIN 399USAF IN-399NSC 177814-(1-Methyl-3-indolylethyl)pyridine hydrochlorideIndole, 1-methyl-3-(2-(4-pyridyl)ethyl)-, monohydrochlorideINDOLE, 1-METHYL-3-(2-(4-PYRIDYL)ETHYL)-, HYDROCHLORIDE1H-Indole, 1-methyl-3-(2-(4-pyridinyl)ethyl)-, monohydrochloride
Database identifiers
- CAS
7770-47-0- PubChem CID
- 24474
Properties
Computed structural properties
- Topological polar surface area
- 19.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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