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Basic information
- CAS
6253-07-2- Standard SMILES
CC[n+]1c(C=Cc2ccc(N3CCCC3)cc2)cccc1C=Cc1ccc(N2CCCC2)cc1- InChIKey
HQXWVXPBRCYGGM-UHFFFAOYSA-N- Molecular formula
- C31H36N3+
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.29092316
Names & identifiers
- Preferred name
- 1-Ethyl-2,6-bis[2-[4-(1-pyrrolidinyl)phenyl]ethenyl]pyridinium
- IUPAC
- 1-ethyl-2,6-bis[2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium
Names & synonyms
1-Ethyl-2,6-bis[2-[4-(1-pyrrolidinyl)phenyl]ethenyl]pyridinium1-Ethyl-2,6-bis{2-[4-(pyrrolidin-1-yl)phenyl]ethen-1-yl}pyridin-1-ium
Database identifiers
- CAS
6253-07-2- PubChem CID
- 19612
- DTXSID
DTXSID00211573
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 10.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 1
- Complexity
- 590
Related reactions
1 records
Compound notes
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