(3R)-1-phenethyl-3-[4-[(Z)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-phenethyl-3-[4-[(Z)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-[(Z)-cinnamyl]piperazine-1,4-diium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3R)-1-phenethyl-3-[4-[(Z)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-phenethyl-3-[4-[(Z)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-[(Z)-cinnamyl]piperazine-1,4-diium-1-yl]-1-phenethyl-pyrrolidine-2,5-quinone Formula: C25H31N3O2+2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)C3CC(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C\C2=CC=CC=C2)[C@@H]3CC(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c29-24-20-23(25(30)28(24)15-13-22-10-5-2-6-11-22)27-18-16-26(17-19-27)14-7-12-21-8-3-1-4-9-21/h1-12,23H,13-20H2/p+2/b12-7-/t23-/m1/s1