Piperazinium, 4-(2-chlorophenyl)-1-(3-ethoxy-3-oxopropyl)-1-methyl-, iodide

HCID 3045666

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Basic information

CAS: 61015-45-0
Standard SMILES: CCOC(=O)CC[N+]1(C)CCN(c2ccccc2Cl)CC1.[I-]
InChIKey: GOHWAQKPWWTELN-UHFFFAOYSA-M
Molecular formula: C16H24ClIN2O2
Average molar mass: 438.73 g/mol
Monoisotopic mass: 438.0571

Names & identifiers

Preferred name: Piperazinium, 4-(2-chlorophenyl)-1-(3-ethoxy-3-oxopropyl)-1-methyl-, iodide
IUPAC: ethyl 3-[4-(2-chlorophenyl)-1-methylpiperazin-1-ium-1-yl]propanoate iodide

Names & synonyms

61015-45-0Piperazinium, 4-(2-chlorophenyl)-1-(3-ethoxy-3-oxopropyl)-1-methyl-, iodideRefChem:10960814-(2-Chlorophenyl)-1-(3-ethoxy-3-oxopropyl)-1-methylpiperazinium iodideDTXSID909765084-(2-Chlorophenyl)-1-(3-ethoxy-3-oxopropyl)-1-methylpiperazin-1-ium iodide

Database identifiers

CAS: 61015-45-0
PubChem CID: 3045666
DTXSID: DTXSID90976508

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 343

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