2-(2-azaniumyl-6-butanoyl-phenoxy)ethyl-di(propan-2-yl)azanium dichloride

Systemtic Name: 2-(2-azaniumyl-6-butanoyl-phenoxy)ethyl-di(propan-2-yl)azanium dichloride Openeye Name: 2-(2-azaniumyl-6-butanoyl-phenoxy)ethyl-diisopropyl-ammonium dichloride CAS Name: 2-[2-ammonio-6-(1-oxobutyl)phenoxy]ethyl-di(propan-2-yl)ammonium dichloride IUPAC Name: 2-(2-azaniumyl-6-butanoylphenoxy)ethyl-di(propan-2-yl)azanium dichloride Traditional Name: 2-(2-ammonio-6-butyryl-phenoxy)ethyl-diisopropyl-ammonium dichloride Formula: C18H32Cl2N2O2 MolecularWeight: 379.36488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2.2ClH/c1-6-8-17(21)15-9-7-10-16(19)18(15)22-12-11-20(13(2)3)14(4)5;;/h7,9-10,13-14H,6,8,11-12,19H2,1-5H3;2*1H