2-(2-butanoyl-6-nitro-phenoxy)ethyl-di(propan-2-yl)azanium chloride

Systemtic Name: 2-(2-butanoyl-6-nitro-phenoxy)ethyl-di(propan-2-yl)azanium chloride Openeye Name: 2-(2-butanoyl-6-nitro-phenoxy)ethyl-diisopropyl-ammonium chloride CAS Name: 2-[2-nitro-6-(1-oxobutyl)phenoxy]ethyl-di(propan-2-yl)ammonium chloride IUPAC Name: 2-(2-butanoyl-6-nitrophenoxy)ethyl-di(propan-2-yl)azanium chloride Traditional Name: 2-(2-butyryl-6-nitro-phenoxy)ethyl-diisopropyl-ammonium chloride Formula: C18H29ClN2O4 MolecularWeight: 372.88686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4.ClH/c1-6-8-17(21)15-9-7-10-16(20(22)23)18(15)24-12-11-19(13(2)3)14(4)5;/h7,9-10,13-14H,6,8,11-12H2,1-5H3;1H