(3R)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C23H27N3O4/c1-2-15-30-18-9-7-17(8-10-18)26-22(28)16-20(23(26)29)25-13-11-24(12-14-25)19-5-3-4-6-21(19)27/h3-10,20,27H,2,11-16H2,1H3/p+1/t20-/m1/s1