(3R)-3-phenyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]pyrrolidine-2,5-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)CC(C2=O)C3=CC=CC=C3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C[C@@H](C2=O)C3=CC=CC=C3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H22N4O2/c25-19-14-18(16-4-2-1-3-5-16)20(26)24(19)15-22-10-12-23(13-11-22)17-6-8-21-9-7-17/h1-9,18H,10-15H2/p+2/t18-/m1/s1