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

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-[(2-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[4-[(2-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[4-[(2-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-[(2-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(2-fluorobenzyl)piperazine-1,4-diium-1-yl]-N-p-phenetyl-acetamide Formula: C21H28FN3O2+2 MolecularWeight: 373.464323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3O2/c1-2-27-19-9-7-18(8-10-19)23-21(26)16-25-13-11-24(12-14-25)15-17-5-3-4-6-20(17)22/h3-10H,2,11-16H2,1H3,(H,23,26)/p+2