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

Systemtic Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide CAS Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-cyclopropyl-N-(2-fluorobenzyl)acetamide Formula: C25H31FN3O+ MolecularWeight: 408.531543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CC=C2F)C(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CC1N(CC2=CC=CC=C2F)C(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H30FN3O/c26-24-11-5-4-10-22(24)19-29(23-12-13-23)25(30)20-28-17-15-27(16-18-28)14-6-9-21-7-2-1-3-8-21/h1-11,23H,12-20H2/p+1/b9-6+