N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-3-phenylmethoxybenzamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]benzamide Formula: C31H31FN3O2+ MolecularWeight: 496.595143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H30FN3O2/c32-30-12-5-4-9-26(30)22-34-17-19-35(20-18-34)28-15-13-27(14-16-28)33-31(36)25-10-6-11-29(21-25)37-23-24-7-2-1-3-8-24/h1-16,21H,17-20,22-23H2,(H,33,36)/p+1