5-methyl-4-methylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide

Systemtic Name: 5-methyl-4-methylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide Openeye Name: 5-methyl-4-methylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-thiazole iodide CAS Name: 5-methyl-4-(methylthio)-3-phenyl-2-(1-piperidin-1-iumylidene)thiazole iodide IUPAC Name: 5-methyl-4-methylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole iodide Traditional Name: 5-methyl-4-(methylthio)-3-phenyl-2-piperidin-1-ium-1-ylidene-4-thiazoline iodide Formula: C16H21IN2S2 MolecularWeight: 432.38581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=[N+]2CCCCC2)S1)C3=CC=CC=C3)SC.[I-]

Isomeric SMILES

CC1=C(N(C(=[N+]2CCCCC2)S1)C3=CC=CC=C3)SC.[I-]

InChI

InChI=1S/C16H21N2S2.HI/c1-13-15(19-2)18(14-9-5-3-6-10-14)16(20-13)17-11-7-4-8-12-17;/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3;1H/q+1;/p-1