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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[3-(4-methylphenoxy)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[3-(4-methylphenoxy)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[3-(4-methylphenoxy)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[3-(4-methylphenoxy)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[3-(4-methylphenoxy)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)OCCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C22H26FN3O3/c1-17-5-7-20(8-6-17)29-14-9-22(28)26-12-10-25(11-13-26)16-21(27)24-19-4-2-3-18(23)15-19/h2-8,15H,9-14,16H2,1H3,(H,24,27)/p+1