5-(4-chlorophenyl)-4-methylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide

Systemtic Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide Openeye Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-thiazole iodide CAS Name: 5-(4-chlorophenyl)-4-(methylthio)-3-phenyl-2-(1-piperidin-1-iumylidene)thiazole iodide IUPAC Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide Traditional Name: 5-(4-chlorophenyl)-4-(methylthio)-3-phenyl-2-piperidin-1-ium-1-ylidene-4-thiazoline iodide Formula: C21H22ClIN2S2 MolecularWeight: 528.90025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(SC(=[N+]2CCCCC2)N1C3=CC=CC=C3)C4=CC=C(C=C4)Cl.[I-]

Isomeric SMILES

CSC1=C(SC(=[N+]2CCCCC2)N1C3=CC=CC=C3)C4=CC=C(C=C4)Cl.[I-]

InChI

InChI=1S/C21H22ClN2S2.HI/c1-25-20-19(16-10-12-17(22)13-11-16)26-21(23-14-6-3-7-15-23)24(20)18-8-4-2-5-9-18;/h2,4-5,8-13H,3,6-7,14-15H2,1H3;1H/q+1;/p-1