N-(4-(cyclohepta-2,4,6-trien-1-ylidene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium | SBID = 401 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 3.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| 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: | 178.9 | ||
| Sum Formula: | C15H16N+ | ||
| M / g/mol: | 210.3 | ||
| Complexity: | 452.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest, charged
- Name: N-(4-(cyclohepta-2,4,6-trien-1-ylidene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium
- Preferred Abbreviation: N-(4-(cyclohepta-2,4,6-trien-1-ylidene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium
- IUPAC Name: (4-cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
- CAS:
- CID: 10979802
- InChiKey: XMVMYEIRIIRKOE-UHFFFAOYSA-N
- InChi: InChI=1S/C15H16N/c1-16(2)15-11-9-14(10-12-15)13-7-5-3-4-6-8-13/h3-12H,1-2H3/q+1
- CanoSmiles: C[N+](=C1C=CC(=C2C=CC=CC=C2)C=C1)C
- IsoSmiles: C[N+](=C1C=CC(=C2C=CC=CC=C2)C=C1)C
