(E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)styryl)-1-methylpyridin-1-ium | SBID = 43 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C24H33N2O2S2+ | ||
| M / g/mol: | 445.66 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: cation, charged
- Name: (E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)styryl)-1-methylpyridin-1-ium
- Preferred Abbreviation: (E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)styryl)-1-methylpyridin-1-ium
- IUPAC Name: (E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)styryl)-1-methylpyridin-1-ium
- CAS:
- CID: -3
- InChiKey: JTZZTZFRUHWXDF-UHFFFAOYSA-N
- InChi: InChI=1S/C24H33N2O2S2/c1-25-10-8-23(9-11-25)3-2-22-4-6-24(7-5-22)26-12-18-29-20-16-27-14-15-28-17-21-30-19-13-26/h2-11H,12-21H2,1H3/q+1
- CanoSmiles: C[N+](C=C1)=CC=C1/C=C/C2=CC=C(N3CCSCCOCCOCCSCC3)C=C2
- IsoSmiles: C[N+](C=C1)=CC=C1/C=C/C2=CC=C(N3CCSCCOCCOCCSCC3)C=C2
