Basic information
- CAS
67032-16-0- Standard SMILES
CC(C)C1CC[NH+](CCCOC(=O)c2ccccc2)CC1.[Cl-]- InChIKey
UDPLFKFYTHQHLZ-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- Benzoic acid, 3-(4-isopropylpiperidino)propyl ester, hydrochloride
- IUPAC
- 3-(4-propan-2-ylpiperidin-1-ium-1-yl)propyl benzoate chloride
Names & synonyms
BENZOIC ACID, 3-(4-ISOPROPYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE67032-16-0RefChem:327146
Database identifiers
- CAS
67032-16-0- PubChem CID
- 48990
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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