2-[4-[4-(4-fluoranylphenoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[4-(4-fluoranylphenoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[4-(4-fluorophenoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O3/c1-16(2)24-21(27)15-25-11-13-26(14-12-25)22(28)17-3-7-19(8-4-17)29-20-9-5-18(23)6-10-20/h3-10,16H,11-15H2,1-2H3,(H,24,27)/p+1