2-(3-fluoranylphenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(3-fluoranylphenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(3-fluorophenoxy)acetamide CAS Name: 2-(3-fluorophenoxy)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(3-fluorophenoxy)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(3-fluorophenoxy)acetamide Formula: C25H27FN3O2+ MolecularWeight: 420.499183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC4=CC(=CC=C4)F

InChI

InChI=1S/C25H26FN3O2/c26-21-7-4-8-24(17-21)31-19-25(30)27-22-9-11-23(12-10-22)29-15-13-28(14-16-29)18-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,27,30)/p+1