[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-ethyl-dimethyl-azanium bromide

Systemtic Name: [(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-ethyl-dimethyl-azanium bromide Openeye Name: [(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-ethyl-dimethyl-ammonium bromide CAS Name: [(3Z)-3-(2-chloro-9-thioxanthenylidene)propyl]-ethyl-dimethylammonium bromide IUPAC Name: [(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-ethyl-dimethylazanium bromide Traditional Name: [(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-ethyl-dimethyl-ammonium bromide Formula: C20H23BrClNS MolecularWeight: 424.82532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClNS.BrH/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;/h5-6,8-12,14H,4,7,13H2,1-3H3;1H/q+1;/p-1/b16-9-;