2-(2-azaniumyl-6-butanoyl-phenoxy)ethyl-diethyl-azanium dichloride

Systemtic Name: 2-(2-azaniumyl-6-butanoyl-phenoxy)ethyl-diethyl-azanium dichloride Openeye Name: 2-(2-azaniumyl-6-butanoyl-phenoxy)ethyl-diethyl-ammonium dichloride CAS Name: 2-[2-ammonio-6-(1-oxobutyl)phenoxy]ethyl-diethylammonium dichloride IUPAC Name: 2-(2-azaniumyl-6-butanoylphenoxy)ethyl-diethylazanium dichloride Traditional Name: 2-(2-ammonio-6-butyryl-phenoxy)ethyl-diethyl-ammonium dichloride Formula: C16H28Cl2N2O2 MolecularWeight: 351.31172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2.2ClH/c1-4-8-15(19)13-9-7-10-14(17)16(13)20-12-11-18(5-2)6-3;;/h7,9-10H,4-6,8,11-12,17H2,1-3H3;2*1H