2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C18H19FN3S+ MolecularWeight: 328.426963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4F

InChI

InChI=1S/C18H18FN3S/c19-14-5-1-3-7-16(14)22-11-9-21(10-12-22)13-18-20-15-6-2-4-8-17(15)23-18/h1-8H,9-13H2/p+1