2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-ethyl-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-(4-fluorophenyl)acetamide Formula: C22H27FN4O+2 MolecularWeight: 382.474383

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25FN4O/c1-2-27(21-9-7-20(23)8-10-21)22(28)17-26-13-11-25(12-14-26)16-19-5-3-18(15-24)4-6-19/h3-10H,2,11-14,16-17H2,1H3/p+2