Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride

HCID 49080

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Basic information

CAS: 67049-61-0
Standard SMILES: CCOC(=O)C1CCC[NH+](CCCOC(=O)c2ccccc2)C1.[Cl-]
InChIKey: RSMWXCGTJNGBDE-UHFFFAOYSA-N
Molecular formula: C18H26ClNO4
Average molar mass: 355.9 g/mol
Monoisotopic mass: 355.155036

Names & identifiers

Preferred name: Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride
IUPAC: ethyl 1-(3-benzoyloxypropyl)piperidin-1-ium-3-carboxylate chloride

Names & synonyms

gamma-3-Carbethoxypiperidinopropylbenzoate hydrochlorideBENZOIC ACID, 3-(3-ETHOXYCARBONYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE67049-61-0RefChem:327144

Database identifiers

CAS: 67049-61-0
PubChem CID: 49080

Properties

Computed structural properties

Topological polar surface area: 57 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 24
Formal charge: 0
Complexity: 379

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