6-(Dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl)-1-methylquinolinium methyl sulfate
Basic information
- CAS
61791-77-3- Standard SMILES
COS(=O)(=O)[O-].Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1- InChIKey
WFRQCOKYLNHLRB-UHFFFAOYSA-M- Molecular formula
- C27H31N3O4S
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.20352765
Overview
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Names & identifiers
- Preferred name
- 6-(Dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl)-1-methylquinolinium methyl sulfate
- IUPAC
- 2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine;methyl sulfate
Names & synonyms
Pyrvinium methyl sulfateTBU2DMP5LESCHEMBL19457812EBC-50059Quinolinium, 6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methyl-, methyl sulfateNS000864572136666-28-76-(Dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl)-1-methylquinolinium methyl sulfate
Database identifiers
- CAS
61791-77-3- PubChem CID
- 90474136
- UNII
- TBU2DMP5LE
Properties
Computed structural properties
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 643
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Compound notes
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