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

Systemtic Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-m-phenetyl-pyrrolidine-2,5-quinone Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-2-29-19-5-3-4-17(14-19)25-21(27)15-20(22(25)28)24-12-10-23(11-13-24)16-6-8-18(26)9-7-16/h3-9,14,20,26H,2,10-13,15H2,1H3/p+1/t20-/m1/s1