(2R)-2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanenitrile

Systemtic Name: (2R)-2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanenitrile Openeye Name: (2R)-2-[4-(benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile CAS Name: (2R)-2-[4-[2-benzofuranyl(oxo)methyl]-1-piperazin-1-iumyl]-2-(4-fluorophenyl)acetonitrile IUPAC Name: (2R)-2-[4-(1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile Traditional Name: (2R)-2-[4-(benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile Formula: C21H19FN3O2+ MolecularWeight: 364.392863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C#N)C2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C#N)C2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H18FN3O2/c22-17-7-5-15(6-8-17)18(14-23)24-9-11-25(12-10-24)21(26)20-13-16-3-1-2-4-19(16)27-20/h1-8,13,18H,9-12H2/p+1/t18-/m0/s1