(3R)-1-(phenylmethyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(phenylmethyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-benzyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(phenylmethyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-benzyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-benzyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C20H24N4O2+2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)CC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)CC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H22N4O2/c25-19-14-17(20(26)24(19)15-16-6-2-1-3-7-16)22-10-12-23(13-11-22)18-8-4-5-9-21-18/h1-9,17H,10-15H2/p+2/t17-/m1/s1