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

Systemtic Name: (3S)-1-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-1-methyl-pyrrolidine-2,5-dione CAS Name: (3S)-1-methyl-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-1-methyl-pyrrolidine-2,5-quinone Formula: C18H25N3O2+2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C[C@@H](C1=O)[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O2/c1-19-17(22)14-16(18(19)23)21-12-10-20(11-13-21)9-5-8-15-6-3-2-4-7-15/h2-8,16H,9-14H2,1H3/p+2/b8-5+/t16-/m0/s1