[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-fluoranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-fluorobenzothiophen-2-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(6-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-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(S4)C=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(S4)C=C(C=C5)F

InChI

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