2-(2-butanoyl-6-nitro-phenoxy)ethyl-diethyl-azanium chloride

Systemtic Name: 2-(2-butanoyl-6-nitro-phenoxy)ethyl-diethyl-azanium chloride Openeye Name: 2-(2-butanoyl-6-nitro-phenoxy)ethyl-diethyl-ammonium chloride CAS Name: diethyl-[2-[2-nitro-6-(1-oxobutyl)phenoxy]ethyl]ammonium chloride IUPAC Name: 2-(2-butanoyl-6-nitrophenoxy)ethyl-diethylazanium chloride Traditional Name: 2-(2-butyryl-6-nitro-phenoxy)ethyl-diethyl-ammonium chloride Formula: C16H25ClN2O4 MolecularWeight: 344.8337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4.ClH/c1-4-8-15(19)13-9-7-10-14(18(20)21)16(13)22-12-11-17(5-2)6-3;/h7,9-10H,4-6,8,11-12H2,1-3H3;1H