1-[3-(Diethylammonio)-2-({[3-(hexyloxy)phenyl]carbamoyl}oxy)propyl]pyrrolidinium dichloride

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Basic information

CAS: 105376-93-0
Standard SMILES: CCCCCCOc1cccc(NC(=O)OC(C[NH+](CC)CC)C[NH+]2CCCC2)c1.[Cl-].[Cl-]
InChIKey: RMPQRUDBGQRYTN-UHFFFAOYSA-N
Molecular formula: C24H43Cl2N3O3
Average molar mass: 492.5 g/mol
Monoisotopic mass: 491.2681476

Names & identifiers

Preferred name: 1-[3-(Diethylammonio)-2-({[3-(hexyloxy)phenyl]carbamoyl}oxy)propyl]pyrrolidinium dichloride
IUPAC: diethyl-[2-[(3-hexoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium dichloride

Names & synonyms

1-[3-(diethylammonio)-2-({[3-(hexyloxy)phenyl]carbamoyl}oxy)propyl]pyrrolidinium dichlorideDTXSID10275646105376-93-01-[3-(Diethylazaniumyl)-2-({[3-(hexyloxy)phenyl]carbamoyl}oxy)propyl]pyrrolidin-1-ium dichloride

Database identifiers

CAS: 105376-93-0
PubChem CID: 59955
DTXSID: DTXSID10275646

Properties

Computed structural properties

Topological polar surface area: 56.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 15
Heavy atoms: 32
Formal charge: 0
Complexity: 453

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Compound notes

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