N-retinylidine-N-ethanolamine | SBID = 2100 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| 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): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C42H58NO+ | ||
| M / g/mol: | 592.91602 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest, charged
- Name: N-retinylidine-N-ethanolamine
- Preferred Abbreviation: N-retinylidine-N-ethanolamine
- IUPAC Name:
- CAS:
- CID: -920
- InChiKey: WPWFMRDPTDEJJA-UHFFFAOYSA-N
- InChi: InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1
- CanoSmiles: OCC[n+]1ccc(cc1/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C
- IsoSmiles: CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C2=CC=[N+](CCO)C(/C=C(/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)C)=C2
