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

Systemtic Name: (3R)-1-(4-ethoxyphenyl)-3-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-ethoxyphenyl)-3-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-ethoxyphenyl)-3-[4-[oxo(3-pyridinyl)methyl]-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-ethoxyphenyl)-3-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-nicotinoylpiperazin-1-ium-1-yl)-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-2-30-18-7-5-17(6-8-18)26-20(27)14-19(22(26)29)24-10-12-25(13-11-24)21(28)16-4-3-9-23-15-16/h3-9,15,19H,2,10-14H2,1H3/p+1/t19-/m1/s1