Basic information
- Standard SMILES
CCOC(=O)C(=O)C[n+]1c(N)c(C(N)=O)nc2ccccc21.[Br-]- InChIKey
VZMAIYAJMXDXAE-UHFFFAOYSA-N- Molecular formula
- C14H15BrN4O4
- Average molar mass
- 383.2 g/mol
Names & identifiers
- Preferred name
- 1-Carbethoxycarbonylmethyl-2-amino-3-carbamoyl-quinoxalinium bromide
- IUPAC
- ethyl 3-(2-amino-3-carbamoylquinoxalin-1-ium-1-yl)-2-oxopropanoate bromide
Names & synonyms
SCHEMBL11368468VZMAIYAJMXDXAE-UHFFFAOYSA-N1-carbethoxycarbonylmethyl-2-amino-3-carbamoyl-quinoxalinium bromide
Database identifiers
- PubChem CID
- 20287983
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Related reactions
2 records
Compound notes
Loading…