1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-fluorophenyl)butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-fluorophenyl)butane-1,4-dione Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-fluorophenyl)butane-1,4-dione CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-4-(4-fluorophenyl)butane-1,4-dione IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-fluorophenyl)butane-1,4-dione Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-fluorophenyl)butane-1,4-dione Formula: C23H26FN2O3+ MolecularWeight: 397.462543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O3/c24-20-4-2-18(3-5-20)21(27)6-8-23(28)26-12-10-25(11-13-26)16-17-1-7-22-19(15-17)9-14-29-22/h1-5,7,15H,6,8-14,16H2/p+1