3-[7-chloranyl-2,3-bis(fluoranyl)thioxanthen-9-ylidene]propyl-dimethyl-azanium

Systemtic Name: 3-[7-chloranyl-2,3-bis(fluoranyl)thioxanthen-9-ylidene]propyl-dimethyl-azanium Openeye Name: 3-(7-chloro-2,3-difluoro-thioxanthen-9-ylidene)propyl-dimethyl-ammonium CAS Name: 3-(7-chloro-2,3-difluoro-9-thioxanthenylidene)propyl-dimethylammonium IUPAC Name: 3-(7-chloro-2,3-difluorothioxanthen-9-ylidene)propyl-dimethylazanium Traditional Name: 3-(7-chloro-2,3-difluoro-thioxanthen-9-ylidene)propyl-dimethyl-ammonium Formula: C18H17ClF2NS+ MolecularWeight: 352.849086

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC=C1C2=CC(=C(C=C2SC3=C1C=C(C=C3)Cl)F)F

Isomeric SMILES

C[NH+](C)CCC=C1C2=CC(=C(C=C2SC3=C1C=C(C=C3)Cl)F)F

InChI

InChI=1S/C18H16ClF2NS/c1-22(2)7-3-4-12-13-8-11(19)5-6-17(13)23-18-10-16(21)15(20)9-14(12)18/h4-6,8-10H,3,7H2,1-2H3/p+1