(3R)-1-(4-propoxyphenyl)-3-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-propoxyphenyl)-3-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-propoxyphenyl)-3-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-[oxo(pyridin-4-yl)methyl]-1-piperazin-1-iumyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-propoxyphenyl)-3-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-isonicotinoylpiperazin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H26N4O4/c1-2-15-31-19-5-3-18(4-6-19)27-21(28)16-20(23(27)30)25-11-13-26(14-12-25)22(29)17-7-9-24-10-8-17/h3-10,20H,2,11-16H2,1H3/p+1/t20-/m1/s1