[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-fluorobenzothiophen-2-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(4-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-fluorobenzothiophen-2-yl)methanone Formula: C21H19FN3OS2+ MolecularWeight: 412.523463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=CC=C5S4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=CC=C5S4)F

InChI

InChI=1S/C21H18FN3OS2/c22-15-4-3-7-17-14(15)12-19(27-17)21(26)25-10-8-24(9-11-25)13-20-23-16-5-1-2-6-18(16)28-20/h1-7,12H,8-11,13H2/p+1