(3R)-1-(4-ethoxyphenyl)-3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-ethoxyphenyl)-3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-ethoxyphenyl)-3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyrazinyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-ethoxyphenyl)-3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-p-phenetyl-3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-2-28-16-5-3-15(4-6-16)25-19(26)13-17(20(25)27)23-9-11-24(12-10-23)18-14-21-7-8-22-18/h3-8,14,17H,2,9-13H2,1H3/p+1/t17-/m1/s1