N-(2-ethylphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(3-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(3-fluorobenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H28FN3O+2 MolecularWeight: 357.464923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN3O/c1-2-18-7-3-4-9-20(18)23-21(26)16-25-12-10-24(11-13-25)15-17-6-5-8-19(22)14-17/h3-9,14H,2,10-13,15-16H2,1H3,(H,23,26)/p+2