trimethyl-[(E)-[5-(2-oxidanyl-2-phenyl-ethanoyl)furan-2-yl]methylideneamino]azanium iodide

Systemtic Name: trimethyl-[(E)-[5-(2-oxidanyl-2-phenyl-ethanoyl)furan-2-yl]methylideneamino]azanium iodide Openeye Name: [(E)-[5-(2-hydroxy-2-phenyl-acetyl)-2-furyl]methyleneamino]-trimethyl-ammonium iodide CAS Name: [(E)-[5-(2-hydroxy-1-oxo-2-phenylethyl)-2-furanyl]methylideneamino]-trimethylammonium iodide IUPAC Name: [(E)-[5-(2-hydroxy-2-phenylacetyl)furan-2-yl]methylideneamino]-trimethylazanium iodide Traditional Name: [(E)-(5-mandeloyl-2-furyl)methyleneamino]-trimethyl-ammonium iodide Formula: C16H19IN2O3 MolecularWeight: 414.23813

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)N=CC1=CC=C(O1)C(=O)C(C2=CC=CC=C2)O.[I-]

Isomeric SMILES

C[N+](C)(C)/N=C/C1=CC=C(O1)C(=O)C(C2=CC=CC=C2)O.[I-]

InChI

InChI=1S/C16H19N2O3.HI/c1-18(2,3)17-11-13-9-10-14(21-13)16(20)15(19)12-7-5-4-6-8-12;/h4-11,15,19H,1-3H3;1H/q+1;/p-1/b17-11+;