3-(2-Methylpiperidin-1-yl)propyl hydrogen naphthalen-1-ylcarbonimidate--hydrogen chloride (1/1)
Basic information
- CAS
67293-05-4- Standard SMILES
CC1CCCC[NH+]1CCCOC(=O)Nc1cccc2ccccc12.[Cl-]- InChIKey
FXKQHBRZJFERTI-UHFFFAOYSA-N- Molecular formula
- C20H27ClN2O2
- Average molar mass
- 362.9 g/mol
- Monoisotopic mass
- 362.1761058
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl hydrogen naphthalen-1-ylcarbonimidate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl N-naphthalen-1-ylcarbamate chloride
Names & synonyms
67293-05-4DTXSID909865063-(2-Methylpiperidin-1-yl)propyl hydrogen naphthalen-1-ylcarbonimidate--hydrogen chloride (1/1)RefChem:1066601DTXCID5014136891-NAPHTHALENECARBAMIC ACID, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67293-05-4- PubChem CID
- 49790
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 401
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Compound notes
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