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

Systemtic Name: [(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-dimethyl-undecyl-azanium bromide Openeye Name: [(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-undecyl-ammonium bromide CAS Name: [(3Z)-3-(2-chloro-9-thioxanthenylidene)propyl]-dimethyl-undecylammonium bromide IUPAC Name: [(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-undecylazanium bromide Traditional Name: [(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-undecyl-ammonium bromide Formula: C29H41BrClNS MolecularWeight: 551.06454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41ClNS.BrH/c1-4-5-6-7-8-9-10-11-14-21-31(2,3)22-15-17-25-26-16-12-13-18-28(26)32-29-20-19-24(30)23-27(25)29;/h12-13,16-20,23H,4-11,14-15,21-22H2,1-3H3;1H/q+1;/p-1/b25-17-;