Basic information
- CAS
67032-12-6- Standard SMILES
CC(C)Oc1ccc(C(=O)OCCC[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
RTOMWFWBLWOZCR-UHFFFAOYSA-N- Molecular formula
- C19H30ClNO3
- Average molar mass
- 355.9 g/mol
- Monoisotopic mass
- 355.1914215
Names & identifiers
- Preferred name
- Benzoic acid, p-isopropoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-propan-2-yloxybenzoate chloride
Names & synonyms
p-Isopropoxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochlorideBENZOIC ACID, p-ISOPROPOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE67032-12-6RefChem:327948
Database identifiers
- CAS
67032-12-6- PubChem CID
- 48985
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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