2-butanoyloxyethyl-dimethyl-[1-(2-nitrophenyl)ethyl]azanium iodide

Systemtic Name: 2-butanoyloxyethyl-dimethyl-[1-(2-nitrophenyl)ethyl]azanium iodide Openeye Name: 2-butanoyloxyethyl-dimethyl-[1-(2-nitrophenyl)ethyl]ammonium iodide CAS Name: dimethyl-[1-(2-nitrophenyl)ethyl]-[2-(1-oxobutoxy)ethyl]ammonium iodide IUPAC Name: 2-butanoyloxyethyl-dimethyl-[1-(2-nitrophenyl)ethyl]azanium iodide Traditional Name: 2-butyryloxyethyl-dimethyl-[1-(2-nitrophenyl)ethyl]ammonium iodide Formula: C16H25IN2O4 MolecularWeight: 436.28517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N2O4.HI/c1-5-8-16(19)22-12-11-18(3,4)13(2)14-9-6-7-10-15(14)17(20)21;/h6-7,9-10,13H,5,8,11-12H2,1-4H3;1H/q+1;/p-1