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

Systemtic Name: diethyl-methyl-[2-[(9-oxidanylidenethioxanthen-2-yl)methoxy]ethyl]azanium iodide Openeye Name: diethyl-methyl-[2-[(9-oxothioxanthen-2-yl)methoxy]ethyl]ammonium iodide CAS Name: diethyl-methyl-[2-[(9-oxo-2-thioxanthenyl)methoxy]ethyl]ammonium iodide IUPAC Name: diethyl-methyl-[2-[(9-oxothioxanthen-2-yl)methoxy]ethyl]azanium iodide Traditional Name: diethyl-[2-[(9-ketothioxanthen-2-yl)methoxy]ethyl]-methyl-ammonium iodide Formula: C21H26INO2S MolecularWeight: 483.40611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO2S.HI/c1-4-22(3,5-2)12-13-24-15-16-10-11-20-18(14-16)21(23)17-8-6-7-9-19(17)25-20;/h6-11,14H,4-5,12-13,15H2,1-3H3;1H/q+1;/p-1