Basic information
- CAS
3784-99-4- Standard SMILES
CC[n+]1c(C=Cc2ccc(N3CCCC3)cc2)cccc1C=Cc1ccc(N2CCCC2)cc1.[I-]- InChIKey
BYIRBDUHSVOFLU-UHFFFAOYSA-M- Molecular formula
- C31H36IN3
- Average molar mass
- 577.5 g/mol
- Monoisotopic mass
- 577.1954
Overview
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Names & identifiers
- Preferred name
- 1-Ethyl-2,6-bis[2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium;iodide
- IUPAC
- 1-ethyl-2,6-bis[2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium iodide
Names & synonyms
SCHEMBL636482BYIRBDUHSVOFLU-UHFFFAOYSA-MNS000465061-Ethyl-2,6-bis[2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium;iodide1-Ethyl-2,6-bis{2-[4-(pyrrolidin-1-yl)phenyl]ethen-1-yl}pyridin-1-ium iodide
Database identifiers
- CAS
3784-99-4- PubChem CID
- 19611
- DTXSID
DTXSID00958870
Properties
Computed structural properties
- Topological polar surface area
- 10.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
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Compound notes
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