Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride
Basic information
- CAS
1532-13-4- Standard SMILES
COc1cc(C(=O)OC2CCC([NH+]3CCCCC3)CC2)cc(OC)c1OC.[Cl-]- InChIKey
LQGUJXQJPIVGRM-UHFFFAOYSA-N- Molecular formula
- C21H32ClNO5
- Average molar mass
- 413.9 g/mol
- Monoisotopic mass
- 413.1969008
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride
- IUPAC
- (4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride
Names & synonyms
1532-13-4BENZOIC ACID, 3,4,5-TRIMETHOXY-, 4-PIPERIDINOCYCLOHEXYL ESTER, HYDROCHLORIDERefChem:10790193,4,5-Trimethoxybenzoic acid 4-piperidinocyclohexyl ester hydrochlorideEstere 3,4,5-trimetossibenzoico del 4-piperidino-cicloesanolo clorohydrato [Spanish]Estere 3,4,5-trimetossibenzoico del 4-piperidino-cicloesanolo clorohydrato
Database identifiers
- CAS
1532-13-4- PubChem CID
- 15228
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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