trans-4-[4-(Dimethylamino)styryl]-1-methylpyridinium iodide | SBID = 819 | Compound |
Structure
Molecular Properties
| Interactions: | 26 | ||
| PubChem TPSA/Å2: | 7.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 1.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C16H19IN2 | ||
| M / g/mol: | 366.24 | ||
| Complexity: | 256.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: typical guest, dye, charged
- Name: trans-4-[4-(Dimethylamino)styryl]-1-methylpyridinium iodide
- Preferred Abbreviation: DSMI
- IUPAC Name: N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;iodide
- CAS: 959-81-9
- CID: 5333955
- InChiKey: UJNFDSOJKNOBIA-UHFFFAOYSA-M
- InChi: InChI=1S/C16H19N2.HI/c1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15;/h4-13H,1-3H3;1H/q+1;/p-1
- CanoSmiles: C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C.[I-]
- IsoSmiles: C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C)C.[I-]
