N-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]thiophene-2-carboxamide Formula: C18H20ClFN3O2S+ MolecularWeight: 396.886703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C18H19ClFN3O2S/c19-14-3-1-4-15(20)13(14)12-22-6-8-23(9-7-22)17(24)11-21-18(25)16-5-2-10-26-16/h1-5,10H,6-9,11-12H2,(H,21,25)/p+1