[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-fluoro-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(5-fluoro-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-fluoro-3-methyl-benzofuran-2-yl)methanone Formula: C22H21FN3O2S+ MolecularWeight: 410.484443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20FN3O2S/c1-14-16-12-15(23)6-7-18(16)28-21(14)22(27)26-10-8-25(9-11-26)13-20-24-17-4-2-3-5-19(17)29-20/h2-7,12H,8-11,13H2,1H3/p+1