9H-Pyrido(3,4-b)indolium, 1-(3-(trimethylammonio)propyl)-, dibromide
Basic information
- CAS
63731-87-3- Standard SMILES
C[N+](C)(C)CCC[n+]1cccc2[nH]c3ccccc3c21.[Br-].[Br-]- InChIKey
FYXPTECHEQODIG-UHFFFAOYSA-M- Molecular formula
- C17H23Br2N3
- Average molar mass
- 429.2 g/mol
- Monoisotopic mass
- 427.02587
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indolium, 1-(3-(trimethylammonio)propyl)-, dibromide
- IUPAC
- trimethyl-[3-(5H-pyrido[3,2-b]indol-1-ium-1-yl)propyl]azanium dibromide
Names & synonyms
IN 2649H-Pyrido(3,4-b)indolium, 1-(3-(trimethylammonio)propyl)-, dibromideAmmonium, (3-(9H-pyrido(2,3-b)indolinio)propyl)trimethyl-, dibromide63731-87-3RefChem:313717
Database identifiers
- CAS
63731-87-3- PubChem CID
- 114142
Properties
Computed structural properties
- Topological polar surface area
- 19.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 323
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Compound notes
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