1-(5-fluoranyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(5-fluoranyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanone CAS Name: 1-(5-fluoro-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(5-fluoro-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanone Formula: C23H25FN3O+ MolecularWeight: 378.462503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CNC3=C2C=C(C=C3)F)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CNC3=C2C=C(C=C3)F)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H24FN3O/c24-19-8-9-22-20(15-19)21(16-25-22)23(28)17-27-13-11-26(12-14-27)10-4-7-18-5-2-1-3-6-18/h1-9,15-16,25H,10-14,17H2/p+1/b7-4+