Basic information
- CAS
105384-12-1- Standard SMILES
CCCCCCOc1ccccc1NC(=O)OC1CC[NH+](CCCC)CC1.[Cl-]- InChIKey
GSYFZEAXGVXUIB-UHFFFAOYSA-N- Molecular formula
- C22H37ClN2O3
- Average molar mass
- 413 g/mol
- Monoisotopic mass
- 412.2492707
Names & identifiers
- Preferred name
- Carbanilic acid, o-(hexyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
- IUPAC
- (1-butylpiperidin-1-ium-4-yl) N-(2-hexoxyphenyl)carbamate chloride
Names & synonyms
PAK 4426105384-12-1o-(Hexyloxy)carbanilic acid 1-butyl-4-piperidyl ester hydrochlorideCarbamic acid, (2-(hexyloxy)phenyl)-, 1-butyl-4-piperidinyl ester, monohydrochlorideCARBANILIC ACID, o-(HEXYLOXY)-, 1-BUTYL-4-PIPERIDYL ESTER, HYDROCHLORIDERefChem:333102(1-butylpiperidin-1-ium-4-yl) N-(2-hexoxyphenyl)carbamate;chlorideCarbamic acid, (2-(hexyloxy)phenyl)-, 1-butyl-4-piperidinyl ester, mon ohydrochloride
Database identifiers
- CAS
105384-12-1- PubChem CID
- 59987
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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