butyl-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-dimethyl-azanium iodide

Systemtic Name: butyl-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-dimethyl-azanium iodide Openeye Name: butyl-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-ammonium iodide CAS Name: butyl-[(3Z)-3-(2-chloro-9-thioxanthenylidene)propyl]-dimethylammonium iodide IUPAC Name: butyl-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethylazanium iodide Traditional Name: butyl-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-ammonium iodide Formula: C22H27ClINS MolecularWeight: 499.87895

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[I-]

Isomeric SMILES

CCCC[N+](C)(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[I-]

InChI

InChI=1S/C22H27ClNS.HI/c1-4-5-14-24(2,3)15-8-10-18-19-9-6-7-11-21(19)25-22-13-12-17(23)16-20(18)22;/h6-7,9-13,16H,4-5,8,14-15H2,1-3H3;1H/q+1;/p-1/b18-10-;