(3Z,5E)-1,1-dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one iodide

Systemtic Name: (3Z,5E)-1,1-dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one iodide Openeye Name: (3Z,5E)-1,1-dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylene]piperidin-1-ium-4-one iodide CAS Name: (3Z,5E)-1,1-dimethyl-3,5-bis[[4-(methylthio)phenyl]methylidene]-4-piperidin-1-iumone iodide IUPAC Name: (3Z,5E)-1,1-dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one iodide Traditional Name: (3Z,5E)-1,1-dimethyl-3,5-bis[4-(methylthio)benzylidene]piperidin-1-ium-4-one iodide Formula: C23H26INOS2 MolecularWeight: 523.49311

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=CC2=CC=C(C=C2)SC)C(=O)C(=CC3=CC=C(C=C3)SC)C1)C.[I-]

Isomeric SMILES

C[N+]1(C/C(=C\C2=CC=C(C=C2)SC)/C(=O)/C(=C\C3=CC=C(C=C3)SC)/C1)C.[I-]

InChI

InChI=1S/C23H26NOS2.HI/c1-24(2)15-19(13-17-5-9-21(26-3)10-6-17)23(25)20(16-24)14-18-7-11-22(27-4)12-8-18;/h5-14H,15-16H2,1-4H3;1H/q+1;/p-1/b19-13-,20-14+;