(3R)-1-ethyl-3-(2-methylphenyl)-3-[2-oxidanylidene-2-(4-propylpiperazin-4-ium-1-yl)ethyl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-ethyl-3-(2-methylphenyl)-3-[2-oxidanylidene-2-(4-propylpiperazin-4-ium-1-yl)ethyl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-ethyl-3-(o-tolyl)-3-[2-oxo-2-(4-propylpiperazin-4-ium-1-yl)ethyl]pyrrolidine-2,5-dione CAS Name: (3R)-1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-propyl-1-piperazin-4-iumyl)ethyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-propylpiperazin-4-ium-1-yl)ethyl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-ethyl-3-[2-keto-2-(4-propylpiperazin-4-ium-1-yl)ethyl]-3-(o-tolyl)pyrrolidine-2,5-quinone Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)CC2(CC(=O)N(C2=O)CC)C3=CC=CC=C3C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C[C@@]2(CC(=O)N(C2=O)CC)C3=CC=CC=C3C

InChI

InChI=1S/C22H31N3O3/c1-4-10-23-11-13-24(14-12-23)19(26)15-22(18-9-7-6-8-17(18)3)16-20(27)25(5-2)21(22)28/h6-9H,4-5,10-16H2,1-3H3/p+1/t22-/m1/s1