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

Systemtic Name: (3R)-1-(4-ethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-ethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-ethoxyphenyl)-3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-ethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-2-25-15-5-3-14(4-6-15)21-17(23)13-16(18(21)24)20-9-7-19(8-10-20)11-12-22/h3-6,16,22H,2,7-13H2,1H3/p+1/t16-/m1/s1