| CAS Number | 36098-33-6 |
| Catalog Number | AG00BXZ2(AGN-PC-0O9BEP) |
| Chemical Name | F16 |
| IUPAC Name | 3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole;iodide |
| InChI | InChI=1S/C16H14N2.HI/c1-18-10-8-13(9-11-18)6-7-14-12-17-16-5-3-2-4-15(14)16;/h2-12H,1H3;1H |
| InChI Key | UURAKYSOOXPORG-UHFFFAOYSA-N |
| MDL Number | MFCD00050298 |
| Molecular Formula | C16H15IN2 |
| Molecular Weight | 362.2082 |
| SMILES | [H]N1C=C(/C=C/C2=CC=[N+](C)C=C2)C3=CC=CC=C31.[I-] |
| Synonyms | 36098-33-6,
F16,
CTK4H5886,
KS-00001CMV,
IN1341,
Pyridinium,4-[(1E)-2-(1H-indol-3-yl)ethenyl]-1-methyl-, iodide (9CI),
3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole,iodi,
26608-75-3,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.214g/mol |
| Monoisotopic Mass | 362.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 19.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number