(3S)-1-ethyl-3-(4-ethylpiperazin-4-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-ethyl-3-(4-ethylpiperazin-4-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-ethyl-3-(4-ethylpiperazin-4-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-ethyl-3-(4-ethyl-1-piperazin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-ethyl-3-(4-ethylpiperazin-4-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-ethyl-3-(4-ethylpiperazin-4-ium-1-yl)pyrrolidine-2,5-quinone Formula: C12H22N3O2+ MolecularWeight: 240.32198

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2CC(=O)N(C2=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O2/c1-3-13-5-7-14(8-6-13)10-9-11(16)15(4-2)12(10)17/h10H,3-9H2,1-2H3/p+1/t10-/m0/s1