3-[4-[2-(diethylazaniumyl)ethoxy]-3-methoxy-phenyl]carbonyloxypropyl-diethyl-azanium dichloride

Systemtic Name: 3-[4-[2-(diethylazaniumyl)ethoxy]-3-methoxy-phenyl]carbonyloxypropyl-diethyl-azanium dichloride Openeye Name: 3-[4-[2-(diethylammonio)ethoxy]-3-methoxy-benzoyl]oxypropyl-diethyl-ammonium dichloride CAS Name: 3-[[4-[2-(diethylammonio)ethoxy]-3-methoxyphenyl]-oxomethoxy]propyl-diethylammonium dichloride IUPAC Name: 3-[4-[2-(diethylazaniumyl)ethoxy]-3-methoxybenzoyl]oxypropyl-diethylazanium dichloride Traditional Name: 3-[4-[2-(diethylammonio)ethoxy]-3-methoxy-benzoyl]oxypropyl-diethyl-ammonium dichloride Formula: C21H38Cl2N2O4 MolecularWeight: 453.44342

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCOC(=O)C1=CC(=C(C=C1)OCC[NH+](CC)CC)OC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCOC(=O)C1=CC(=C(C=C1)OCC[NH+](CC)CC)OC.[Cl-].[Cl-]

InChI

InChI=1S/C21H36N2O4.2ClH/c1-6-22(7-2)13-10-15-27-21(24)18-11-12-19(20(17-18)25-5)26-16-14-23(8-3)9-4;;/h11-12,17H,6-10,13-16H2,1-5H3;2*1H