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

Systemtic Name: 2-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone CAS Name: 2-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O/c27-23(17-20-18-24-22-11-5-4-10-21(20)22)26-15-13-25(14-16-26)12-6-9-19-7-2-1-3-8-19/h1-11,18,24H,12-17H2/p+1/b9-6+