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

Systemtic Name: 5-(4-methylphenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide Openeye Name: 4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-5-(p-tolyl)thiazole iodide CAS Name: 5-(4-methylphenyl)-4-(methylthio)-3-(4-nitrophenyl)-2-(1-piperidin-1-iumylidene)thiazole iodide IUPAC Name: 5-(4-methylphenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide Traditional Name: 4-(methylthio)-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-5-(p-tolyl)-4-thiazoline iodide Formula: C22H24IN3O2S2 MolecularWeight: 553.47933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=[N+]3CCCCC3)S2)C4=CC=C(C=C4)[N+](=O)[O-])SC.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=[N+]3CCCCC3)S2)C4=CC=C(C=C4)[N+](=O)[O-])SC.[I-]

InChI

InChI=1S/C22H24N3O2S2.HI/c1-16-6-8-17(9-7-16)20-21(28-2)24(18-10-12-19(13-11-18)25(26)27)22(29-20)23-14-4-3-5-15-23;/h6-13H,3-5,14-15H2,1-2H3;1H/q+1;/p-1