1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide
Basic information
- CAS
54921-50-5- Standard SMILES
C(SCc1c[nH]c2ccccc12)=[N+]1CCCC1.[I-]- InChIKey
NWRNHXWDEGOKEN-UHFFFAOYSA-M- Molecular formula
- C14H17IN2S
- Average molar mass
- 372.27 g/mol
- Monoisotopic mass
- 372.01572
Names & identifiers
- Preferred name
- 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide
- IUPAC
- 3-(pyrrolidin-1-ium-1-ylidenemethylsulfanylmethyl)-1H-indole iodide
- English name
- 1-(3-Indolyl(methylthio)methylene)pyrrolidinium iodide
- Molecular formula
- C14H17IN2S
- Molecular weight
- 372.27
Names & synonyms
DTXSID109702601-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide1-(3-Indolyl(methylthio)methylene)pyrrolidinium iodide1-[1H-INDOL-3-YL(METHYLSULFANYL)METHYLENE]PYRROLIDINIUM IODIDE
Database identifiers
- CAS
54921-50-5- PubChem CID
- 108288
- DTXSID
DTXSID10970260
Properties
Computed structural properties
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- FDA UNII
- 4 W8KE1723 · N4W8KE1723
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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