Basic information
- CAS
5392-30-3- Standard SMILES
C[N+]1(CC[N+]2(C)CCCC2c2cccnc2)CCCC1c1cccnc1- InChIKey
MJRIWDXWCJJQJG-UHFFFAOYSA-N- Molecular formula
- C22H32N4+2
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.26269704
Names & identifiers
- Preferred name
- Pyrrolidinium,1'-ethylenebis[1-methyl-2-(3-pyridyl)-, bromide
- IUPAC
- 3-[1-methyl-1-[2-(1-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-yl)ethyl]pyrrolidin-1-ium-2-yl]pyridine
Names & synonyms
NSC3284Pyrrolidinium,1'-ethylenebis[1-methyl-2-(3-pyridyl)-, bromideNSC-3284Pyrrolidinium,1'-ethylenebis[1-methyl-2-(3-pyridyl)-, dibromideWLN: T6NJ C- BT5KTJ A1 A2- AT5KTJ A1 B- CT6NJ &Q 2 &I 2Probes1_000290Probes2_000236CHEMBL1978965DTXSID50968707NSC11518NSC-115181,1'-(Ethane-1,2-diyl)bis[1-methyl-2-(pyridin-3-yl)pyrrolidin-1-ium]
Show more names
3-(1-methyl-1-(2-(1-methyl-2-(3-pyridinyl)-15-pyrrolidin-1-yl)ethyl)-15-pyrrolidin-2-yl)pyridine
Database identifiers
- CAS
5392-30-3- PubChem CID
- 110653
- DTXSID
DTXSID50968707- ChEMBL
CHEMBL1978965
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 2
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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