5-bromanylfuran-2-carboxylate; butane; methyl(3-oxidanylbutyl)azanium; iodide

Systemtic Name: 5-bromanylfuran-2-carboxylate; butane; methyl(3-oxidanylbutyl)azanium; iodide Openeye Name: 5-bromofuran-2-carboxylate; butane; 3-hydroxybutyl(methyl)ammonium; iodide CAS Name: 5-bromo-2-furancarboxylate; butane; 3-hydroxybutyl(methyl)ammonium; iodide IUPAC Name: 5-bromofuran-2-carboxylate; butane; 3-hydroxybutyl(methyl)azanium; iodide Traditional Name: 5-bromo-2-furoate; 3-hydroxybutyl(methyl)ammonium; n-butane; iodide Formula: C14H26BrINO4- MolecularWeight: 479.16901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC.CC(CC[NH2+]C)O.C1=C(OC(=C1)Br)C(=O)[O-].[I-]

Isomeric SMILES

CCCC.CC(CC[NH2+]C)O.C1=C(OC(=C1)Br)C(=O)[O-].[I-]

InChI

InChI=1S/C5H3BrO3.C5H13NO.C4H10.HI/c6-4-2-1-3(9-4)5(7)8;1-5(7)3-4-6-2;1-3-4-2;/h1-2H,(H,7,8);5-7H,3-4H2,1-2H3;3-4H2,1-2H3;1H/p-1