N-(4-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-fluorophenyl)-2-[4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H19FN5OS+ MolecularWeight: 372.439763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C18H18FN5OS/c19-13-1-3-14(4-2-13)22-16(25)11-23-6-8-24(9-7-23)17-15-5-10-26-18(15)21-12-20-17/h1-5,10,12H,6-9,11H2,(H,22,25)/p+1