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

Systemtic Name: butyl-[3-(2-chloranylthioxanthen-9-ylidene)propyl]-dimethyl-azanium Openeye Name: butyl-[3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-ammonium CAS Name: butyl-[3-(2-chloro-9-thioxanthenylidene)propyl]-dimethylammonium IUPAC Name: butyl-[3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethylazanium Traditional Name: butyl-[3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-ammonium Formula: C22H27ClNS+ MolecularWeight: 372.97448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClNS/c1-4-5-14-24(2,3)15-8-10-18-19-9-6-7-11-21(19)25-22-13-12-17(23)16-20(18)22/h6-7,9-13,16H,4-5,8,14-15H2,1-3H3/q+1