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

Systemtic Name: (3S)-1-(4-iodophenyl)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-iodophenyl)-3-[4-(2-pyridyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-iodophenyl)-3-[4-(2-pyridinyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-iodophenyl)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-iodophenyl)-3-[4-(2-pyridyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C19H20IN4O2+ MolecularWeight: 463.29217

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)I)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)I)C4=CC=CC=N4

InChI

InChI=1S/C19H19IN4O2/c20-14-4-6-15(7-5-14)24-18(25)13-16(19(24)26)22-9-11-23(12-10-22)17-3-1-2-8-21-17/h1-8,16H,9-13H2/p+1/t16-/m0/s1