Carbanilic acid, p-pentyloxy-, 2-piperidinocyclohexyl ester, hydrochloride, (E)-
Basic information
- CAS
38205-33-3- Standard SMILES
CCCCCOc1ccc(NC(=O)O[C@H]2CCCC[C@@H]2[NH+]2CCCCC2)cc1.[Cl-]- InChIKey
VXAAXSBIYHDGND-VROPFNGYSA-N- Molecular formula
- C23H37ClN2O3
- Average molar mass
- 425 g/mol
- Monoisotopic mass
- 424.2492707
Names & identifiers
- Preferred name
- Carbanilic acid, p-pentyloxy-, 2-piperidinocyclohexyl ester, hydrochloride, (E)-
- IUPAC
- [(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl] N-(4-pentoxyphenyl)carbamate chloride
Names & synonyms
p-Pentyloxycarbanilic acid trans-2-piperidinocyclohexyl ester hydrochlorideCARBANILIC ACID, p-PENTYLOXY-, 2-PIPERIDINOCYCLOHEXYL ESTER, HYDROCHLORIDE, (E)-Carbamic acid, (4-(pentyloxy)phenyl)-, 2-(1-piperidinyl)cyclohexyl ester, monohydrochloride, trans-38205-33-3RefChem:333194
Database identifiers
- CAS
38205-33-3- PubChem CID
- 37973
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 445
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Compound notes
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