ethyl-methyl-[2-[(9-oxidanylidenethioxanthen-2-yl)methoxy]ethyl]-propyl-azanium iodide

Systemtic Name: ethyl-methyl-[2-[(9-oxidanylidenethioxanthen-2-yl)methoxy]ethyl]-propyl-azanium iodide Openeye Name: ethyl-methyl-[2-[(9-oxothioxanthen-2-yl)methoxy]ethyl]-propyl-ammonium iodide CAS Name: ethyl-methyl-[2-[(9-oxo-2-thioxanthenyl)methoxy]ethyl]-propylammonium iodide IUPAC Name: ethyl-methyl-[2-[(9-oxothioxanthen-2-yl)methoxy]ethyl]-propylazanium iodide Traditional Name: ethyl-[2-[(9-ketothioxanthen-2-yl)methoxy]ethyl]-methyl-propyl-ammonium iodide Formula: C22H28INO2S MolecularWeight: 497.43269

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(CC)CCOCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O.[I-]

Isomeric SMILES

CCC[N+](C)(CC)CCOCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O.[I-]

InChI

InChI=1S/C22H28NO2S.HI/c1-4-12-23(3,5-2)13-14-25-16-17-10-11-21-19(15-17)22(24)18-8-6-7-9-20(18)26-21;/h6-11,15H,4-5,12-14,16H2,1-3H3;1H/q+1;/p-1