(3S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-ethyl-1-piperazine-1,4-diiumyl)-1-(4-iodophenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-quinone Formula: C16H22IN3O2+2 MolecularWeight: 415.26925

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H20IN3O2/c1-2-18-7-9-19(10-8-18)14-11-15(21)20(16(14)22)13-5-3-12(17)4-6-13/h3-6,14H,2,7-11H2,1H3/p+2/t14-/m0/s1