(3S)-1-(4-iodophenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-iodophenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-iodophenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-iodophenyl)-3-(4-methyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-iodophenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-iodophenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C15H19IN3O2+ MolecularWeight: 400.23473

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)I

Isomeric SMILES

CN1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C15H18IN3O2/c1-17-6-8-18(9-7-17)13-10-14(20)19(15(13)21)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3/p+1/t13-/m0/s1