Basic information
- Standard SMILES
C[N+](C)(CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N.[Br-]- InChIKey
KFEPDUMPYCQNSE-UHFFFAOYSA-N- Molecular formula
- C28H37BrClN7O3
- Average molar mass
- 635 g/mol
Names & identifiers
- Preferred name
- {4-[2-(4-Benzyloxy-phenyl)-acetylamino]-butyl}-{2-[(3,5-diamino-6-chloro-pyrazine-2-carbonyl)-amino]-ethyl}-dimethyl-ammonium bromide
- IUPAC
- 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[4-[[2-(4-phenylmethoxyphenyl)acetyl]amino]butyl]azanium bromide
Names & synonyms
CHEMBL1945199SCHEMBL1428944KFEPDUMPYCQNSE-UHFFFAOYSA-N{4-[2-(4-Benzyloxy-phenyl)-acetylamino]-butyl}-{2-[(3,5-diamino-6-chloro-pyrazine-2-carbonyl)-amino]-ethyl}-dimethyl-ammonium bromide
Database identifiers
- PubChem CID
- 57402003
- ChEMBL
CHEMBL1945199
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 745
Related reactions
1 records
Compound notes
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