Carbanilic acid, m-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
Basic information
- CAS
105405-74-1- Standard SMILES
CCCCCOc1cccc(NC(=O)OC2CC[NH+](CCCC)CC2)c1.[Cl-]- InChIKey
QMECIPWRGUPTNI-UHFFFAOYSA-N- Molecular formula
- C21H35ClN2O3
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2336207
Names & identifiers
- Preferred name
- Carbanilic acid, m-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
- IUPAC
- (1-butylpiperidin-1-ium-4-yl) N-(3-pentoxyphenyl)carbamate chloride
Names & synonyms
PAK 4435105405-74-1m-(Pentyloxy)carbanilic acid 1-butyl-4-piperidyl ester hydrochlorideCarbamic acid, (3-(pentyloxy)phenyl)-, 1-butyl-4-piperidinyl ester, monohydrochlorideCARBANILIC ACID, m-(PENTYLOXY)-, 1-BUTYL-4-PIPERIDYL ESTER, HYDROCHLORIDERefChem:333021(1-butylpiperidin-1-ium-4-yl) N-(3-pentoxyphenyl)carbamate;chloride(1-butyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl) N-(3-pentoxyphenyl)carbam ate chloride
Database identifiers
- CAS
105405-74-1- PubChem CID
- 60011
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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