Basic information
- CAS
103132-98-5- Standard SMILES
CC(C(=O)N1c2ccccc2Sc2ccccc21)[N+]1(C)CCCC1- InChIKey
YKNNBQKAAWCISH-UHFFFAOYSA-N- Molecular formula
- C20H23N2OS+
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.15310953
Overview
1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium is a member of the class of phenothiazines that is 10H-phenothiazine which is substituted by a 2-(1-methylpyrrolidin-1-ium-1-yl)propanoyl group at position 10. It is a tertiary carboxamide, a quaternary ammonium ion and a member of phenothiazines.
Names & identifiers
- Preferred name
- Propyromazine
- IUPAC
- 2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenothiazin-10-ylpropan-1-one
Names & synonyms
PropyromazinePropyromazine ionE0KAI6UHFMPropyromazine cation103132-98-51-Methyl-1-(1-phenothiazin-10-ylcarbonylethyl)pyrrolidinium1-methyl-1-(1-(phenothiazin-10-ylcarbonyl)ethyl)pyrrolidinium bromideRefChem:930070CHEBI:135439Propyromazine [WHO-DD]UNII-E0KAI6UHFMCHEMBL2110708
Show more names
CHEBI:1456892-(1-methylpyrrolidin-1-ium-1-yl)-1-phenothiazin-10-ylpropan-1-one1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidin-1-ium1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidiniumQ27276711
Database identifiers
- CAS
103132-98-5- PubChem CID
- 71494
- ChEMBL
CHEMBL2110708- ChEBI
CHEBI:145689- UNII
- E0KAI6UHFM
- Nikkaji
- J2.923.437J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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