(3R)-1-ethyl-3-[4-[6-(4-methoxyphenyl)-2-methyl-pyrimidin-4-yl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-ethyl-3-[4-[6-(4-methoxyphenyl)-2-methyl-pyrimidin-4-yl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-ethyl-3-[4-[6-(4-methoxyphenyl)-2-methyl-pyrimidin-4-yl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-ethyl-3-[4-[6-(4-methoxyphenyl)-2-methyl-4-pyrimidinyl]-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-ethyl-3-[4-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-ethyl-3-[4-[6-(4-methoxyphenyl)-2-methyl-pyrimidin-4-yl]piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c1-4-27-21(28)14-19(22(27)29)25-9-11-26(12-10-25)20-13-18(23-15(2)24-20)16-5-7-17(30-3)8-6-16/h5-8,13,19H,4,9-12,14H2,1-3H3/p+1/t19-/m1/s1