4-[[4-(4-fluorophenyl)sulfanylpiperidin-1-ium-1-yl]methyl]-5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazole

Systemtic Name: 4-[[4-(4-fluorophenyl)sulfanylpiperidin-1-ium-1-yl]methyl]-5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazole Openeye Name: 4-[[4-(4-fluorophenyl)sulfanylpiperidin-1-ium-1-yl]methyl]-5-methyl-2-(5-methyl-2-furyl)oxazole CAS Name: 4-[[4-[(4-fluorophenyl)thio]-1-piperidin-1-iumyl]methyl]-5-methyl-2-(5-methyl-2-furanyl)oxazole IUPAC Name: 4-[[4-(4-fluorophenyl)sulfanylpiperidin-1-ium-1-yl]methyl]-5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazole Traditional Name: 4-[[4-[(4-fluorophenyl)thio]piperidin-1-ium-1-yl]methyl]-5-methyl-2-(5-methyl-2-furyl)oxazole Formula: C21H24FN2O2S+ MolecularWeight: 387.490863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=C(O2)C)C[NH+]3CCC(CC3)SC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=C(O2)C)C[NH+]3CCC(CC3)SC4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN2O2S/c1-14-3-8-20(25-14)21-23-19(15(2)26-21)13-24-11-9-18(10-12-24)27-17-6-4-16(22)5-7-17/h3-8,18H,9-13H2,1-2H3/p+1