N-(3-fluoranyl-4-methyl-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C22H28FN3O+2 MolecularWeight: 369.475623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)F

InChI

InChI=1S/C22H26FN3O/c1-18-9-10-20(16-21(18)23)24-22(27)17-26-14-12-25(13-15-26)11-5-8-19-6-3-2-4-7-19/h2-10,16H,11-15,17H2,1H3,(H,24,27)/p+2/b8-5+