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

Systemtic Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C24H34N5O+3 MolecularWeight: 408.55966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H31N5O/c30-24(21-27-15-17-28(18-16-27)23-10-4-5-11-25-23)29-19-13-26(14-20-29)12-6-9-22-7-2-1-3-8-22/h1-11H,12-21H2/p+3/b9-6+