2-fluoranyl-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide

Systemtic Name: 2-fluoranyl-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Openeye Name: 2-fluoro-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide CAS Name: 2-fluoro-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]benzamide IUPAC Name: 2-fluoro-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Traditional Name: 2-fluoro-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Formula: C21H28FN3O2+2 MolecularWeight: 373.464323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=O)C2=CC=CC=C2F)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=O)C2=CC=CC=C2F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26FN3O2/c1-24-11-13-25(14-12-24)20(16-7-9-17(27-2)10-8-16)15-23-21(26)18-5-3-4-6-19(18)22/h3-10,20H,11-15H2,1-2H3,(H,23,26)/p+2/t20-/m1/s1