Benzoic acid, p-iodo-, 3-(2-methylpiperidino)propyl ester, hydrochloride
Basic information
- CAS
67032-09-1- Standard SMILES
CC1CCCC[NH+]1CCCOC(=O)c1ccc(I)cc1.[Cl-]- InChIKey
HSRACYDREPWNNV-UHFFFAOYSA-N- Molecular formula
- C16H23ClINO2
- Average molar mass
- 423.71 g/mol
- Monoisotopic mass
- 423.0462
Names & identifiers
- Preferred name
- Benzoic acid, p-iodo-, 3-(2-methylpiperidino)propyl ester, hydrochloride
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-iodobenzoate chloride
Names & synonyms
BENZOIC ACID, p-IODO-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE67032-09-1RefChem:1079321p-Iodobenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride
Database identifiers
- CAS
67032-09-1- PubChem CID
- 48981
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
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Compound notes
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