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

Systemtic Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]imidazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-imidazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxamide Formula: C23H26FN4OS+ MolecularWeight: 425.542143

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25FN4OS/c1-30-23-25-15-21(28(23)20-9-7-18(24)8-10-20)22(29)26-19-11-13-27(14-12-19)16-17-5-3-2-4-6-17/h2-10,15,19H,11-14,16H2,1H3,(H,26,29)/p+1