Malonic acid, (2-(3-methyl-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)ethyl)-, diethyl ester, hydrochloride

HCID 58841

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Basic information

CAS: 101756-24-5
Standard SMILES: CCOC(=O)C(CCN1CCC2(CC1)C[NH+](C)CN2c1ccccc1)C(=O)OCC.[Cl-]
InChIKey: NOJLQGVHODOWHL-UHFFFAOYSA-N
Molecular formula: C23H36ClN3O4
Average molar mass: 454 g/mol
Monoisotopic mass: 453.2394343

Names & identifiers

Preferred name: Malonic acid, (2-(3-methyl-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)ethyl)-, diethyl ester, hydrochloride
IUPAC: diethyl 2-[2-(3-methyl-1-phenyl-1,8-diaza-3-azoniaspiro[4.5]decan-8-yl)ethyl]propanedioate chloride

Names & synonyms

101756-24-5Malonic acid, (2-(3-methyl-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)ethyl)-, diethyl ester, hydrochlorideRefChem:10887628-(3,3-Bis(ethoxycarbonyl)propyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane HCl

Database identifiers

CAS: 101756-24-5
PubChem CID: 58841

Properties

Computed structural properties

Topological polar surface area: 63.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 31
Formal charge: 0
Complexity: 553

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