(3S)-1-ethyl-3-[4-(4-pyridin-4-ylcarbonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-ethyl-3-[4-(4-pyridin-4-ylcarbonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-ethyl-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-ethyl-3-[4-[4-[oxo(pyridin-4-yl)methyl]phenyl]-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-ethyl-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-ethyl-3-[4-(4-isonicotinoylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C1=O)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=O)C[C@@H](C1=O)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H24N4O3/c1-2-26-20(27)15-19(22(26)29)25-13-11-24(12-14-25)18-5-3-16(4-6-18)21(28)17-7-9-23-10-8-17/h3-10,19H,2,11-15H2,1H3/p+1/t19-/m0/s1