Ammonium, diethylmethyl(9-xanthenylcarbamoylmethyl)-, bromide
Basic information
- CAS
102571-21-1- Standard SMILES
CC[N+](C)(CC)CC(=O)NC1c2ccccc2Oc2ccccc21.[Br-]- InChIKey
HIIBYEWJDPOSHF-UHFFFAOYSA-N- Molecular formula
- C20H25BrN2O2
- Average molar mass
- 405.3 g/mol
- Monoisotopic mass
- 404.10994
Names & identifiers
- Preferred name
- Ammonium, diethylmethyl(9-xanthenylcarbamoylmethyl)-, bromide
- IUPAC
- diethyl-methyl-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]azanium bromide
Names & synonyms
102571-21-1Diethylmethyl(9-xanthenylcarbamoylmethyl)ammonium bromideAMMONIUM, DIETHYLMETHYL(9-XANTHENYLCARBAMOYLMETHYL)-, BROMIDERefChem:31928755 QEthanaminium,N,N-diethyl-N-methyl-2-oxo-2-(9H-xanthen-9-ylamino)-, bromide (1:1)SCHEMBL29353683DIETHYL-METHYL-(9H-XANTHEN-9-YLCARBAMOYLMETHYL)AZANIUM BROMIDEdiethyl-methyl-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]azanium;bromideEthanaminium, N,N-diethyl-N-methyl-2-oxo-2-(9H-xanthen-9-ylamino)-, bromide (1:1)
Database identifiers
- CAS
102571-21-1- PubChem CID
- 59499
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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