N-(1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H20FN4OS+ MolecularWeight: 371.451703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4F

InChI

InChI=1S/C19H19FN4OS/c20-14-5-1-3-7-16(14)24-11-9-23(10-12-24)13-18(25)22-19-21-15-6-2-4-8-17(15)26-19/h1-8H,9-13H2,(H,21,22,25)/p+1