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

Systemtic Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 3-fluoranylbenzoate Openeye Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-(4-ethyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C20H21FN3O2S+ MolecularWeight: 386.463043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O2S/c1-2-23-8-10-24(11-9-23)20-22-17-7-6-16(13-18(17)27-20)26-19(25)14-4-3-5-15(21)12-14/h3-7,12-13H,2,8-11H2,1H3/p+1