3-(4-fluorophenyl)-2-methylsulfanyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]imidazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]-4-imidazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]imidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]imidazole-4-carboxamide Formula: C20H23FN5OS2+ MolecularWeight: 432.557923

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4

InChI

InChI=1S/C20H22FN5OS2/c1-28-20-22-11-17(26(20)16-7-5-14(21)6-8-16)18(27)24-19-23-15(13-29-19)12-25-9-3-2-4-10-25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,23,24,27)/p+1