[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoranyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoranyl-3-nitro-phenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoro-3-nitro-phenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(4-fluoro-3-nitrophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoro-3-nitrophenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoro-3-nitro-phenyl)methanone Formula: C20H21FN3O4+ MolecularWeight: 386.396843

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O4/c21-17-3-2-16(12-18(17)24(26)27)20(25)23-8-6-22(7-9-23)13-14-1-4-19-15(11-14)5-10-28-19/h1-4,11-12H,5-10,13H2/p+1