Carbamylcholine | SBID = 1618 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 52.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 119.4 | ||
| Sum Formula: | C6H15N2O2+ | ||
| M / g/mol: | 147.2 | ||
| Complexity: | 117.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: cation, typical guest, charged, drug
- Name: Carbamylcholine
- Preferred Abbreviation: Carbamylcholine
- IUPAC Name: 2-carbamoyloxyethyl(trimethyl)azanium
- CAS: 462-58-8
- CID: 2551
- InChiKey: VPJXQGSRWJZDOB-UHFFFAOYSA-O
- InChi: InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
- CanoSmiles: C[N+](C)(C)CCOC(=O)N
- IsoSmiles: C[N+](C)(C)CCOC(=O)N
