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

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

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-3-30-20-6-4-5-18(15-20)26-22(27)16-21(23(26)28)25-13-11-24(12-14-25)17-7-9-19(29-2)10-8-17/h4-10,15,21H,3,11-14,16H2,1-2H3/p+1/t21-/m0/s1