Carbanilic acid, o-(heptyloxy)-, 1-propyl-4-piperidyl ester, hydrochloride
Basic information
- CAS
105384-06-3- Standard SMILES
CCCCCCCOc1ccccc1NC(=O)OC1CC[NH+](CCC)CC1.[Cl-]- InChIKey
FZXADKBARRSMMG-UHFFFAOYSA-N- Molecular formula
- C22H37ClN2O3
- Average molar mass
- 413 g/mol
- Monoisotopic mass
- 412.2492707
Names & identifiers
- Preferred name
- Carbanilic acid, o-(heptyloxy)-, 1-propyl-4-piperidyl ester, hydrochloride
- IUPAC
- (1-propylpiperidin-1-ium-4-yl) N-(2-heptoxyphenyl)carbamate chloride
Names & synonyms
PAK 4327105384-06-3o-(Heptyloxy)carbanilic acid 1-propyl-4-piperidyl ester hydrochlorideCarbamic acid, (2-(heptyloxy)phenyl)-, 1-propyl-4-piperidinyl ester, monohydrochlorideCARBANILIC ACID, o-(HEPTYLOXY)-, 1-PROPYL-4-PIPERIDYL ESTER, HYDROCHLORIDERefChem:333095
Database identifiers
- CAS
105384-06-3- PubChem CID
- 59977
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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