Basic information
- CAS
101396-46-7- Standard SMILES
C[N+]12CCC(CC1)C(CN1c3ccccc3Sc3ccccc31)C2- InChIKey
LRHZGVSONLULIX-UHFFFAOYSA-N- Molecular formula
- C21H25N2S+
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.17384498
Names & identifiers
- Preferred name
- Mequitamium
- IUPAC
- 10-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl]phenothiazine
Names & synonyms
Mequitamium101396-46-7Mequitamium ionMequitamium cationUNII-NID67T2471NID67T24711-Azoniabicyclo(2.2.2)octane, 1-methyl-3-(10H-phenothiazin-10-ylmethyl)-RefChem:156530orb1944835CHEMBL3990386SCHEMBL29387741T68097
Show more names
Q27284881
Database identifiers
- CAS
101396-46-7- PubChem CID
- 72029
- ChEMBL
CHEMBL3990386- UNII
- NID67T2471
- Nikkaji
- J338.768B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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