N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-(3-fluoranylphenoxy)ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-(3-fluoranylphenoxy)ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-(3-fluorophenoxy)acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-2-(3-fluorophenoxy)acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-2-(3-fluorophenoxy)acetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-(3-fluorophenoxy)acetamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC(=CC=C3)F)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H26FN3O2/c1-3-24-9-11-25(12-10-24)20-8-7-18(13-16(20)2)23-21(26)15-27-19-6-4-5-17(22)14-19/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,23,26)/p+1