N-(4-fluorophenyl)-5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-fluorophenyl)-5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-(4-fluorophenyl)-5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-fluorophenyl)-5-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-fluorophenyl)-5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-(4-fluorophenyl)-5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C16H20FN4OS+ MolecularWeight: 335.419603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C16H19FN4OS/c1-11-4-2-3-9-21(11)10-14-19-20-16(23-14)15(22)18-13-7-5-12(17)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,18,22)/p+1/t11-/m0/s1