2-(2-(4-(Dimethylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
Basic information
- CAS
72214-25-6- Standard SMILES
CN(C)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.O=P([O-])(O)O- InChIKey
OWKTYKYYGBBYKF-UHFFFAOYSA-M- Molecular formula
- C21H27N2O4P
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.17084434
Overview
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Names & identifiers
- Preferred name
- 2-(2-(4-(Dimethylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
- IUPAC
- dihydrogen phosphate;N,N-dimethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
Names & synonyms
2-(2-(4-(Dimethylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate2-{2-[4-(Dimethylamino)phenyl]ethen-1-yl}-1,3,3-trimethyl-3H-indol-1-ium dihydrogen phosphate
Database identifiers
- CAS
72214-25-6- PubChem CID
- 6442013
Properties
Computed structural properties
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
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