2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C20H22FN4O2S+ MolecularWeight: 401.477683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C20H21FN4O2S/c1-27-14-6-7-16-18(12-14)28-20(22-16)23-19(26)13-24-8-10-25(11-9-24)17-5-3-2-4-15(17)21/h2-7,12H,8-11,13H2,1H3,(H,22,23,26)/p+1