1-[4-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]phenyl]-2-pyrrolidone Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c29-24(22-10-12-23(13-11-22)28-15-5-9-25(28)30)20-27-18-16-26(17-19-27)14-4-8-21-6-2-1-3-7-21/h1-4,6-8,10-13H,5,9,14-20H2/p+1/b8-4+