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

Systemtic Name: (3R)-1-(4-ethoxyphenyl)-3-[4-(4-pyridin-4-ylcarbonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-ethoxyphenyl)-3-[4-[4-[oxo(pyridin-4-yl)methyl]phenyl]-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(4-isonicotinoylphenyl)piperazin-1-ium-1-yl]-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C28H29N4O4+ MolecularWeight: 485.55426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C5=CC=NC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C28H28N4O4/c1-2-36-24-9-7-23(8-10-24)32-26(33)19-25(28(32)35)31-17-15-30(16-18-31)22-5-3-20(4-6-22)27(34)21-11-13-29-14-12-21/h3-14,25H,2,15-19H2,1H3/p+1/t25-/m1/s1