1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium | SBID = 397 | Compound |
Structure
Molecular Properties
| Interactions: | 11 | ||
| PubChem TPSA/Å2: | 17.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 260.8 | ||
| Sum Formula: | C20H22N4+2 | ||
| M / g/mol: | 318.424 | ||
| Complexity: | 376.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, cation, typical guest, dye, charged
- Name: 1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium
- Preferred Abbreviation: 1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium
- IUPAC Name: 1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium
- CAS:
- CID: 102107248
- InChiKey: LLTIKVSNSINMCR-UHFFFAOYSA-N
- InChi: InChI=1S/C20H22N4/c1-21-7-9-23(15-21)13-17-3-5-20-12-18(4-6-19(20)11-17)14-24-10-8-22(2)16-24/h3-12,15-16H,13-14H2,1-2H3/q+2
- CanoSmiles: C[N+]1=CN(C=C1)CC2=CC3=C(C=C2)C=C(C=C3)CN4C=C[N+](=C4)C
- IsoSmiles: C[N+]1=CN(C=C1)CC2=CC3=C(C=C2)C=C(C=C3)CN4C=C[N+](=C4)C
