(3S)-3-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-cinnamylpiperazine-1,4-diium-1-yl)-1-(2-thienylmethyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(3-phenylprop-2-enyl)-1-piperazine-1,4-diiumyl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-cinnamylpiperazine-1,4-diium-1-yl)-1-(2-thenyl)pyrrolidine-2,5-quinone Formula: C22H27N3O2S+2 MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)C3CC(=O)N(C3=O)CC4=CC=CS4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)[C@H]3CC(=O)N(C3=O)CC4=CC=CS4

InChI

InChI=1S/C22H25N3O2S/c26-21-16-20(22(27)25(21)17-19-9-5-15-28-19)24-13-11-23(12-14-24)10-4-8-18-6-2-1-3-7-18/h1-9,15,20H,10-14,16-17H2/p+2/t20-/m0/s1