2-(4-fluorophenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiazole-4-carboxamide CAS Name: 2-(4-fluorophenyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiazole-4-carboxamide Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F)[NH+]4CCOCC4

InChI

InChI=1S/C21H26FN3O2S/c22-17-6-4-16(5-7-17)20-24-18(14-28-20)19(26)23-15-21(8-2-1-3-9-21)25-10-12-27-13-11-25/h4-7,14H,1-3,8-13,15H2,(H,23,26)/p+1