(3R)-1-(4-propoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-propoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-propoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-propoxyphenyl)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-propoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-propoxyphenyl)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C21H26N5O3+ MolecularWeight: 396.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H25N5O3/c1-2-14-29-17-6-4-16(5-7-17)26-19(27)15-18(20(26)28)24-10-12-25(13-11-24)21-22-8-3-9-23-21/h3-9,18H,2,10-15H2,1H3/p+1/t18-/m1/s1