trimethyl-[2-[(3E)-1-oxidanylidene-3-phenethylidene-isoindol-2-yl]ethyl]azanium iodide

Systemtic Name: trimethyl-[2-[(3E)-1-oxidanylidene-3-phenethylidene-isoindol-2-yl]ethyl]azanium iodide Openeye Name: trimethyl-[2-[(3E)-1-oxo-3-phenethylidene-isoindolin-2-yl]ethyl]ammonium iodide CAS Name: trimethyl-[2-[(3E)-1-oxo-3-phenethylidene-2-isoindolyl]ethyl]ammonium iodide IUPAC Name: trimethyl-[2-[(3E)-1-oxo-3-phenethylideneisoindol-2-yl]ethyl]azanium iodide Traditional Name: 2-[(3E)-1-keto-3-phenethylidene-isoindolin-2-yl]ethyl-trimethyl-ammonium iodide Formula: C21H25IN2O MolecularWeight: 448.34047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCN1C(=CCC2=CC=CC=C2)C3=CC=CC=C3C1=O.[I-]

Isomeric SMILES

C[N+](C)(C)CCN1/C(=C/CC2=CC=CC=C2)/C3=CC=CC=C3C1=O.[I-]

InChI

InChI=1S/C21H25N2O.HI/c1-23(2,3)16-15-22-20(14-13-17-9-5-4-6-10-17)18-11-7-8-12-19(18)21(22)24;/h4-12,14H,13,15-16H2,1-3H3;1H/q+1;/p-1/b20-14+;