[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 4-fluoranylbenzoate

Systemtic Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 4-fluoranylbenzoate Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C19H19FN3O2S+ MolecularWeight: 372.436463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H18FN3O2S/c1-22-8-10-23(11-9-22)19-21-16-7-6-15(12-17(16)26-19)25-18(24)13-2-4-14(20)5-3-13/h2-7,12H,8-11H2,1H3/p+1