Piprocurarium
Basic information
- CAS
744949-11-9- Standard SMILES
CC[N+](C)(CC)CCOCCOC(=O)C(c1ccccc1)[N+]1(C)CCCCC1- InChIKey
UQVDQHWKXJHFEN-UHFFFAOYSA-N- Molecular formula
- C23H40N2O3+2
- Average molar mass
- 392.6 g/mol
- Monoisotopic mass
- 392.30389314
Names & identifiers
- Preferred name
- Piprocurarium
- IUPAC
- diethyl-methyl-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)-2-phenylacetyl]oxyethoxy]ethyl]azanium
Names & synonyms
PiprocurariumPiprocurarium ionPiprocurarium cationUNII-QM6F1222QUQM6F1222QU744949-11-9Piperidinium, 1-(2-(2-(2-(diethylmethylammonio)ethoxy)ethoxy)-2-oxo-1-phenylethyl)-1-methylRefChem:174485CHEMBL2110638SCHEMBL29387495Q27287330
Database identifiers
- CAS
744949-11-9- PubChem CID
- 24419
- ChEMBL
CHEMBL2110638- UNII
- QM6F1222QU
- Nikkaji
- J375.911C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 2
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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