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

Systemtic Name: [(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-dimethyl-tetradecyl-azanium bromide Openeye Name: [(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-tetradecyl-ammonium bromide CAS Name: [(3Z)-3-(2-chloro-9-thioxanthenylidene)propyl]-dimethyl-tetradecylammonium bromide IUPAC Name: [(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-tetradecylazanium bromide Traditional Name: [(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-myristyl-ammonium bromide Formula: C32H47BrClNS MolecularWeight: 593.14428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H47ClNS.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17-24-34(2,3)25-18-20-28-29-19-15-16-21-31(29)35-32-23-22-27(33)26-30(28)32;/h15-16,19-23,26H,4-14,17-18,24-25H2,1-3H3;1H/q+1;/p-1/b28-20-;