N-(2-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(2-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-N-(2-fluorophenyl)propanamide CAS Name: N-(2-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(2-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-N-(2-fluorophenyl)propionamide Formula: C22H27FN3O+ MolecularWeight: 368.467683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O/c23-20-10-4-5-11-21(20)24-22(27)12-14-26-17-15-25(16-18-26)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2,(H,24,27)/p+1/b9-6+