1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide
Basic information
- CAS
5664-40-4- Standard SMILES
C(SCc1c[nH]c2ccccc12)=[N+]1CCCCC1.[I-]- InChIKey
TVXDEIXNOAMUFA-UHFFFAOYSA-M- Molecular formula
- C15H19IN2S
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 386.03137
Names & identifiers
- Preferred name
- 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide
- IUPAC
- 3-(piperidin-1-ium-1-ylidenemethylsulfanylmethyl)-1H-indole iodide
Names & synonyms
1-{[(1h-indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodideDTXSID702760531-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)piperidin-1-ium iodide
Database identifiers
- CAS
5664-40-4- PubChem CID
- 108286
- DTXSID
DTXSID70276053
Properties
Computed structural properties
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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