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

Systemtic Name: (3S)-3-(4-ethylpiperazin-4-ium-1-yl)-1-prop-2-enyl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-allyl-3-(4-ethylpiperazin-4-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-ethyl-1-piperazin-4-iumyl)-1-prop-2-enylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-ethylpiperazin-4-ium-1-yl)-1-prop-2-enylpyrrolidine-2,5-dione Traditional Name: (3S)-1-allyl-3-(4-ethylpiperazin-4-ium-1-yl)pyrrolidine-2,5-quinone Formula: C13H22N3O2+ MolecularWeight: 252.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O2/c1-3-5-16-12(17)10-11(13(16)18)15-8-6-14(4-2)7-9-15/h3,11H,1,4-10H2,2H3/p+1/t11-/m0/s1