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

Systemtic Name: 4-bromanylbutyl-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-dimethyl-azanium bromide Openeye Name: 4-bromobutyl-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-ammonium bromide CAS Name: 4-bromobutyl-[(3Z)-3-(2-chloro-9-thioxanthenylidene)propyl]-dimethylammonium bromide IUPAC Name: 4-bromobutyl-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethylazanium bromide Traditional Name: 4-bromobutyl-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-ammonium bromide Formula: C22H26Br2ClNS MolecularWeight: 531.77454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrClNS.BrH/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;1H/q+1;/p-1/b18-9-;