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

Systemtic Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H27N3O4/c1-3-30-18-10-8-17(9-11-18)26-22(27)16-20(23(26)28)25-14-12-24(13-15-25)19-6-4-5-7-21(19)29-2/h4-11,20H,3,12-16H2,1-2H3/p+1/t20-/m0/s1