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

Systemtic Name: (5-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-fluoro-3-methyl-benzofuran-2-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-fluoro-3-methyl-2-benzofuranyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-fluoro-3-methyl-benzofuran-2-yl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C19H20FN2O2S+ MolecularWeight: 359.437703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C19H19FN2O2S/c1-13-16-10-15(20)2-3-17(16)24-18(13)19(23)22-7-5-21(6-8-22)11-14-4-9-25-12-14/h2-4,9-10,12H,5-8,11H2,1H3/p+1