N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]thiophene-2-carboxamide CAS Name: N-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide Traditional Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]thiophene-2-carboxamide Formula: C22H24FN4OS+ MolecularWeight: 411.515563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)C2=CC=CS2)C3=CN=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1C(CNC(=O)C2=CC=CS2)C3=CN=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4OS/c23-18-5-7-19(8-6-18)26-10-12-27(13-11-26)20(17-3-1-9-24-15-17)16-25-22(28)21-4-2-14-29-21/h1-9,14-15,20H,10-13,16H2,(H,25,28)/p+1