(3R)-1-(2-ethoxy-4-nitro-phenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(2-ethoxy-4-nitro-phenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(2-ethoxy-4-nitro-phenyl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(2-ethoxy-4-nitrophenyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(2-ethoxy-4-nitrophenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(2-ethoxy-4-nitro-phenyl)pyrrolidine-2,5-quinone Formula: C23H27N4O5+ MolecularWeight: 439.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)CC(C2=O)[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O5/c1-2-32-21-14-18(27(30)31)8-9-19(21)26-22(28)15-20(23(26)29)25-12-10-24(11-13-25)16-17-6-4-3-5-7-17/h3-9,14,20H,2,10-13,15-16H2,1H3/p+1/t20-/m1/s1