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

Systemtic Name: trimethyl-[3-[(3E)-1-oxidanylidene-3-phenethylidene-isoindol-2-yl]propyl]azanium iodide Openeye Name: trimethyl-[3-[(3E)-1-oxo-3-phenethylidene-isoindolin-2-yl]propyl]ammonium iodide CAS Name: trimethyl-[3-[(3E)-1-oxo-3-phenethylidene-2-isoindolyl]propyl]ammonium iodide IUPAC Name: trimethyl-[3-[(3E)-1-oxo-3-phenethylideneisoindol-2-yl]propyl]azanium iodide Traditional Name: 3-[(3E)-1-keto-3-phenethylidene-isoindolin-2-yl]propyl-trimethyl-ammonium iodide Formula: C22H27IN2O MolecularWeight: 462.36705

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCN1C(=CCC2=CC=CC=C2)C3=CC=CC=C3C1=O.[I-]

Isomeric SMILES

C[N+](C)(C)CCCN1/C(=C/CC2=CC=CC=C2)/C3=CC=CC=C3C1=O.[I-]

InChI

InChI=1S/C22H27N2O.HI/c1-24(2,3)17-9-16-23-21(15-14-18-10-5-4-6-11-18)19-12-7-8-13-20(19)22(23)25;/h4-8,10-13,15H,9,14,16-17H2,1-3H3;1H/q+1;/p-1/b21-15+;