3-(2-chloranylthioxanthen-9-ylidene)propyl-hexyl-dimethyl-azanium

Systemtic Name: 3-(2-chloranylthioxanthen-9-ylidene)propyl-hexyl-dimethyl-azanium Openeye Name: 3-(2-chlorothioxanthen-9-ylidene)propyl-hexyl-dimethyl-ammonium CAS Name: 3-(2-chloro-9-thioxanthenylidene)propyl-hexyl-dimethylammonium IUPAC Name: 3-(2-chlorothioxanthen-9-ylidene)propyl-hexyl-dimethylazanium Traditional Name: 3-(2-chlorothioxanthen-9-ylidene)propyl-hexyl-dimethyl-ammonium Formula: C24H31ClNS+ MolecularWeight: 401.02764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClNS/c1-4-5-6-9-16-26(2,3)17-10-12-20-21-11-7-8-13-23(21)27-24-15-14-19(25)18-22(20)24/h7-8,11-15,18H,4-6,9-10,16-17H2,1-3H3/q+1