Carbanilic acid, m-(hexyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
Basic information
- CAS
105384-15-4- Standard SMILES
CCCCCCOc1cccc(NC(=O)OC2CC[NH+](CCCC)CC2)c1.[Cl-]- InChIKey
SVIURJMMNXLZLI-UHFFFAOYSA-N- Molecular formula
- C22H37ClN2O3
- Average molar mass
- 413 g/mol
- Monoisotopic mass
- 412.2492707
Names & identifiers
- Preferred name
- Carbanilic acid, m-(hexyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
- IUPAC
- (1-butylpiperidin-1-ium-4-yl) N-(3-hexoxyphenyl)carbamate chloride
Names & synonyms
PAK 4436m-(Hexyloxy)carbanilic acid 1-butyl-4-piperidyl ester hydrochloride105384-15-4CARBANILIC ACID, m-(HEXYLOXY)-, 1-BUTYL-4-PIPERIDYL ESTER, HYDROCHLORIDERefChem:333019
Database identifiers
- CAS
105384-15-4- PubChem CID
- 59993
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
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Compound notes
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