2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[2-(3-methylphenoxy)ethyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O2/c1-17-3-2-4-20(15-17)27-14-9-23-21(26)16-24-10-12-25(13-11-24)19-7-5-18(22)6-8-19/h2-8,15H,9-14,16H2,1H3,(H,23,26)/p+1