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

Systemtic Name: 5-(4-methylphenyl)-4-methylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide Openeye Name: 4-methylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-5-(p-tolyl)thiazole iodide CAS Name: 5-(4-methylphenyl)-4-(methylthio)-3-phenyl-2-(1-piperidin-1-iumylidene)thiazole iodide IUPAC Name: 5-(4-methylphenyl)-4-methylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide Traditional Name: 4-(methylthio)-3-phenyl-2-piperidin-1-ium-1-ylidene-5-(p-tolyl)-4-thiazoline iodide Formula: C22H25IN2S2 MolecularWeight: 508.48177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N2S2.HI/c1-17-11-13-18(14-12-17)20-21(25-2)24(19-9-5-3-6-10-19)22(26-20)23-15-7-4-8-16-23;/h3,5-6,9-14H,4,7-8,15-16H2,1-2H3;1H/q+1;/p-1