(3R)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(2-furoyl)piperazin-1-ium-1-yl]-1-(4-hexoxyphenyl)pyrrolidine-2,5-quinone Formula: C25H32N3O5+ MolecularWeight: 454.53868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H31N3O5/c1-2-3-4-5-16-32-20-10-8-19(9-11-20)28-23(29)18-21(24(28)30)26-12-14-27(15-13-26)25(31)22-7-6-17-33-22/h6-11,17,21H,2-5,12-16,18H2,1H3/p+1/t21-/m1/s1