[(3E)-3-(2-ethanoylthioxanthen-9-ylidene)propyl]-dimethyl-azanium chloride

Systemtic Name: [(3E)-3-(2-ethanoylthioxanthen-9-ylidene)propyl]-dimethyl-azanium chloride Openeye Name: [(3E)-3-(2-acetylthioxanthen-9-ylidene)propyl]-dimethyl-ammonium chloride CAS Name: [(3E)-3-(2-acetyl-9-thioxanthenylidene)propyl]-dimethylammonium chloride IUPAC Name: [(3E)-3-(2-acetylthioxanthen-9-ylidene)propyl]-dimethylazanium chloride Traditional Name: [(3E)-3-(2-acetylthioxanthen-9-ylidene)propyl]-dimethyl-ammonium chloride Formula: C20H22ClNOS MolecularWeight: 359.91278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=CCC[NH+](C)C.[Cl-]

Isomeric SMILES

CC(=O)C1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C\CC[NH+](C)C.[Cl-]

InChI

InChI=1S/C20H21NOS.ClH/c1-14(22)15-10-11-20-18(13-15)16(8-6-12-21(2)3)17-7-4-5-9-19(17)23-20;/h4-5,7-11,13H,6,12H2,1-3H3;1H/b16-8+;