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

Systemtic Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide Openeye Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-thiazole iodide CAS Name: 5-(4-chlorophenyl)-4-(methylthio)-3-(4-nitrophenyl)-2-(1-piperidin-1-iumylidene)thiazole iodide IUPAC Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide Traditional Name: 5-(4-chlorophenyl)-4-(methylthio)-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-4-thiazoline iodide Formula: C21H21ClIN3O2S2 MolecularWeight: 573.89781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN3O2S2.HI/c1-28-20-19(15-5-7-16(22)8-6-15)29-21(23-13-3-2-4-14-23)24(20)17-9-11-18(12-10-17)25(26)27;/h5-12H,2-4,13-14H2,1H3;1H/q+1;/p-1