Basic information
- CAS
105383-99-1- Standard SMILES
CCCCCCCOc1ccccc1NC(=O)OC1CC[NH+](CC)CC1.[Cl-]- InChIKey
JDEHZUUUFUZSFW-UHFFFAOYSA-N- Molecular formula
- C21H35ClN2O3
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2336207
Names & identifiers
- Preferred name
- Carbanilic acid, o-(heptyloxy)-, 1-ethyl-4-piperidyl ester, hydrochloride
- IUPAC
- (1-ethylpiperidin-1-ium-4-yl) N-(2-heptoxyphenyl)carbamate chloride
Names & synonyms
PAK 4227105383-99-1o-(Heptyloxy)carbanilic acid 1-ethyl-4-piperidyl ester hydrochlorideCarbamic acid, (2-(heptyloxy)phenyl)-, 1-ethyl-4-piperidinyl ester, monohydrochlorideCARBANILIC ACID, o-(HEPTYLOXY)-, 1-ETHYL-4-PIPERIDYL ESTER, HYDROCHLORIDERefChem:333093
Database identifiers
- CAS
105383-99-1- PubChem CID
- 59963
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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