Pyrrolidine, 1-(2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)-, N-oxide, methanesulfonate
Basic information
- CAS
17185-17-0- Standard SMILES
CS(=O)(=O)O.[O-][N+]1(CCOC23CCC(c4ccccc42)c2ccccc23)CCCC1- InChIKey
YLVPAXHPQYQIBE-UHFFFAOYSA-N- Molecular formula
- C23H29NO5S
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.1766442
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)-, N-oxide, methanesulfonate
- IUPAC
- methanesulfonic acid;1-oxido-1-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]pyrrolidin-1-ium
Names & synonyms
Pyrrolidine, 1-(2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)-, N-oxide, methanesulfonate17185-17-0DTXSID401691809,10-Dihydro-9-(2-(1-pyrrolidinyl)ethoxy)-9,10-ethanoanthracene N-oxide methanesulfonate9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(1-pyrrolidinyl)ethoxy)-, N-oxide, methanesulfonateN-Oxyde de (pyrrolidino-2 ethoxy)-9 dihydro-9,10 ethano-9,10 anthracene et methane-sulfonateRefChem:377976DTXCID2091671Methanesulfonic acid--1-{2-[(9,10-ethanoanthracen-9(10H)-yl)oxy]ethyl}-1-oxo-1lambda~5~-pyrrolidine (1/1)
Database identifiers
- CAS
17185-17-0- PubChem CID
- 205012
- DTXSID
DTXSID40169180
Properties
Computed structural properties
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 555
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Compound notes
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