2-[4-(butylazaniumyl)-2-propoxy-phenyl]carbonyloxyethyl-diethyl-azanium dichloride

Systemtic Name: 2-[4-(butylazaniumyl)-2-propoxy-phenyl]carbonyloxyethyl-diethyl-azanium dichloride Openeye Name: 2-[4-(butylammonio)-2-propoxy-benzoyl]oxyethyl-diethyl-ammonium dichloride CAS Name: 2-[[4-(butylammonio)-2-propoxyphenyl]-oxomethoxy]ethyl-diethylammonium dichloride IUPAC Name: 2-[4-(butylazaniumyl)-2-propoxybenzoyl]oxyethyl-diethylazanium dichloride Traditional Name: 2-[4-(butylammonio)-2-propoxy-benzoyl]oxyethyl-diethyl-ammonium dichloride Formula: C20H36Cl2N2O3 MolecularWeight: 423.41744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCC[NH+](CC)CC)OCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCC[NH+](CC)CC)OCCC.[Cl-].[Cl-]

InChI

InChI=1S/C20H34N2O3.2ClH/c1-5-9-12-21-17-10-11-18(19(16-17)24-14-6-2)20(23)25-15-13-22(7-3)8-4;;/h10-11,16,21H,5-9,12-15H2,1-4H3;2*1H