N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-methylbenzenesulfonate
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CAS Number 24235-06-1
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Catalog Number io-407008
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Molecular Weight 410.5000
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SMILES
| Size | QTY | Notes | |
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| 1 | 4-(4-(Dimethylamino)styryl)-1-methylpyridin-1-ium 4-methylbenzenesulfonate |
| 2 | SCHEMBL531127 |
| 3 | H38077 |
| 4 | 4-N,N-dimethylamino-4'-N-methyl-stilbazolium tosylate |
| 5 | 4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium Tosylate |
| Molecular Formula | C23H26N2O3S |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 410.5000 |
| InChIKey | XQNXLVUPJKQLPU-UHFFFAOYSA-M |
| InChI | InChI=1S/C16H19N2.C7H8O3S/c1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| XLogP | 0.0000 |
| ExactMass | 410.1664 |
| MonoisotopicMass | 410.1664 |
| TPSA | 72.7000 |
| Complexity | 449.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 29 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 1 |
| CovalentUnitCount | 2 |
| PatentCount | 144 |
| PatentFamilyCount | 42 |
| LiteratureCount | 7 |
