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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC(C)OCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O.[I-]

Isomeric SMILES

CC[N+](C)(CC)CC(C)OCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O.[I-]

InChI

InChI=1S/C22H28NO2S.HI/c1-5-23(4,6-2)14-16(3)25-15-17-11-12-21-19(13-17)22(24)18-9-7-8-10-20(18)26-21;/h7-13,16H,5-6,14-15H2,1-4H3;1H/q+1;/p-1