Basic information
- CAS
21176-88-5- Standard SMILES
CN(C)c1ccc(-c2sc3c([n+]2C)CCCCC3)cc1.[I-]- InChIKey
UIZJMJHHYOOWAE-UHFFFAOYSA-M- Molecular formula
- C17H23IN2S
- Average molar mass
- 414.3 g/mol
- Monoisotopic mass
- 414.06267
Names & identifiers
- Preferred name
- 4H-Cycloheptathiazolium, 2-(p-(dimethylamino)phenyl)-5,6,7,8-tetrahydro-3-methyl-, iodide
- IUPAC
- N,N-dimethyl-4-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium-2-yl)aniline iodide
Names & synonyms
4H-Cycloheptathiazolium, 2-(p-(dimethylamino)phenyl)-5,6,7,8-tetrahydro-3-methyl-, iodide21176-88-52-(p-(Dimethylamino)phenyl)-5,6,7,8-tetrahydro-3-methyl-4H-cycloheptathiazolium iodideRefChem:297488DTXSID00943509N,N-Dimethyl-4-(3-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene)cyclohexa-2,5-dien-1-iminium iodide
Database identifiers
- CAS
21176-88-5- PubChem CID
- 30516
- DTXSID
DTXSID00943509
Properties
Computed structural properties
- Topological polar surface area
- 35.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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