4-bromanylbutyl-[3-(2-chloranylthioxanthen-9-ylidene)propyl]-dimethyl-azanium

Systemtic Name: 4-bromanylbutyl-[3-(2-chloranylthioxanthen-9-ylidene)propyl]-dimethyl-azanium Openeye Name: 4-bromobutyl-[3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-ammonium CAS Name: 4-bromobutyl-[3-(2-chloro-9-thioxanthenylidene)propyl]-dimethylammonium IUPAC Name: 4-bromobutyl-[3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethylazanium Traditional Name: 4-bromobutyl-[3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-ammonium Formula: C22H26BrClNS+ MolecularWeight: 451.87054

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCBr)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

C[N+](C)(CCCCBr)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C22H26BrClNS/c1-25(2,14-6-5-13-23)15-7-9-18-19-8-3-4-10-21(19)26-22-12-11-17(24)16-20(18)22/h3-4,8-12,16H,5-7,13-15H2,1-2H3/q+1