N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide Openeye Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-methylsulfanyl-thiazole-4-carboxamide CAS Name: N-[[1-[2-(3-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-2-(methylthio)-4-thiazolecarboxamide IUPAC Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide Traditional Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-(methylthio)thiazole-4-carboxamide Formula: C20H27FN3OS2+ MolecularWeight: 408.576283

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC(=CC=C2)F)C(=O)C3=CSC(=N3)SC

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC(=CC=C2)F)C(=O)C3=CSC(=N3)SC

InChI

InChI=1S/C20H26FN3OS2/c1-23(19(25)18-14-27-20(22-18)26-2)13-16-7-10-24(11-8-16)9-6-15-4-3-5-17(21)12-15/h3-5,12,14,16H,6-11,13H2,1-2H3/p+1