1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-fluorophenyl)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-fluorophenyl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-fluorophenyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-(3-fluorophenyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-fluorophenyl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-fluorophenyl)ethanone Formula: C20H21FN3OS+ MolecularWeight: 370.463643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CC4=CC(=CC=C4)F

InChI

InChI=1S/C20H20FN3OS/c21-16-5-3-4-15(12-16)13-20(25)24-10-8-23(9-11-24)14-19-22-17-6-1-2-7-18(17)26-19/h1-7,12H,8-11,13-14H2/p+1