Basic information
- CAS
105384-11-0- Standard SMILES
CCCCCOc1ccccc1NC(=O)OC1CC[NH+](CCCC)CC1.[Cl-]- InChIKey
STAKFIPGKXCGEL-UHFFFAOYSA-N- Molecular formula
- C21H35ClN2O3
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2336207
Names & identifiers
- Preferred name
- Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
- IUPAC
- (1-butylpiperidin-1-ium-4-yl) N-(2-pentoxyphenyl)carbamate chloride
Names & synonyms
PAK 4425105384-11-0o-(Pentyloxy)carbanilic acid 1-butyl-4-piperidyl ester hydrochlorideCarbamic acid, (2-(pentyloxy)phenyl)-, 1-butyl-4-piperidinyl ester, monohydrochlorideCARBANILIC ACID, o-(PENTYLOXY)-, 1-BUTYL-4-PIPERIDYL ESTER, HYDROCHLORIDERefChem:333118(1-butylpiperidin-1-ium-4-yl) N-(2-pentoxyphenyl)carbamate;chlorideCarbamic acid, (2-(pentyloxy)phenyl)-, 1-butyl-4-piperidinyl ester, mo nohydrochloride
Database identifiers
- CAS
105384-11-0- PubChem CID
- 59985
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
Loading…