Basic information
- Standard SMILES
Nc1ccc(N2CCC(n3cc[n+](CCCn4cc[n+](C5CCN(c6ccc(N)cc6)C5)c4)c3)C2)cc1.[Br-].[Br-]- InChIKey
DDOWWFQHHPZWDX-UHFFFAOYSA-L- Molecular formula
- C29H38Br2N8
- Average molar mass
- 658.5 g/mol
- Monoisotopic mass
- 656.15862
Names & identifiers
- Preferred name
- 3-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(3-{1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1H-imidazol-3-ium-3-yl}propyl)-1H-imidazol-3-ium dibromide
- IUPAC
- 4-[3-[3-[3-[3-[1-(4-aminophenyl)pyrrolidin-3-yl]imidazol-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]pyrrolidin-1-yl]aniline dibromide
Names & synonyms
SCHEMBL6495700DDOWWFQHHPZWDX-UHFFFAOYSA-L3-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(3-{1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1H-imidazol-3-ium-3-yl}propyl)-1H-imidazol-3-ium dibromide
Database identifiers
- PubChem CID
- 12116529
Properties
Computed structural properties
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 648
Related reactions
1 records
Compound notes
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