3-(4-azaniumyl-2-ethoxy-phenyl)carbonyloxypropyl-diethyl-azanium dichloride

Systemtic Name: 3-(4-azaniumyl-2-ethoxy-phenyl)carbonyloxypropyl-diethyl-azanium dichloride Openeye Name: 3-(4-azaniumyl-2-ethoxy-benzoyl)oxypropyl-diethyl-ammonium dichloride CAS Name: 3-[(4-ammonio-2-ethoxyphenyl)-oxomethoxy]propyl-diethylammonium dichloride IUPAC Name: 3-(4-azaniumyl-2-ethoxybenzoyl)oxypropyl-diethylazanium dichloride Traditional Name: 3-(4-ammonio-2-ethoxy-benzoyl)oxypropyl-diethyl-ammonium dichloride Formula: C16H28Cl2N2O3 MolecularWeight: 367.31112

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCOC(=O)C1=C(C=C(C=C1)[NH3+])OCC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCOC(=O)C1=C(C=C(C=C1)[NH3+])OCC.[Cl-].[Cl-]

InChI

InChI=1S/C16H26N2O3.2ClH/c1-4-18(5-2)10-7-11-21-16(19)14-9-8-13(17)12-15(14)20-6-3;;/h8-9,12H,4-7,10-11,17H2,1-3H3;2*1H