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

Systemtic Name: 3-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H27N3O/c28-24(13-12-21-19-25-23-11-5-4-10-22(21)23)27-17-15-26(16-18-27)14-6-9-20-7-2-1-3-8-20/h1-11,19,25H,12-18H2/p+1/b9-6+