[(3E)-3-(2-chloranyl-4a,9a-dihydrothioxanthen-9-ylidene)propyl]-ethyl-dimethyl-azanium iodide

Systemtic Name: [(3E)-3-(2-chloranyl-4a,9a-dihydrothioxanthen-9-ylidene)propyl]-ethyl-dimethyl-azanium iodide Openeye Name: [(3E)-3-(2-chloro-4a,9a-dihydrothioxanthen-9-ylidene)propyl]-ethyl-dimethyl-ammonium iodide CAS Name: [(3E)-3-(2-chloro-4a,9a-dihydrothioxanthen-9-ylidene)propyl]-ethyl-dimethylammonium iodide IUPAC Name: [(3E)-3-(2-chloro-4a,9a-dihydrothioxanthen-9-ylidene)propyl]-ethyl-dimethylazanium iodide Traditional Name: [(3E)-3-(2-chloro-4a,9a-dihydrothioxanthen-9-ylidene)propyl]-ethyl-dimethyl-ammonium iodide Formula: C20H25ClINS MolecularWeight: 473.84167

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CCC=C1C2C=C(C=CC2SC3=CC=CC=C31)Cl.[I-]

Isomeric SMILES

CC[N+](C)(C)CC/C=C/1\C2C=C(C=CC2SC3=CC=CC=C31)Cl.[I-]

InChI

InChI=1S/C20H25ClNS.HI/c1-4-22(2,3)13-7-9-16-17-8-5-6-10-19(17)23-20-12-11-15(21)14-18(16)20;/h5-6,8-12,14,18,20H,4,7,13H2,1-3H3;1H/q+1;/p-1/b16-9-;