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

Systemtic Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-ethoxyphenyl)-3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2-furoyl)piperazin-1-ium-1-yl]-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C21H24N3O5+ MolecularWeight: 398.43236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H23N3O5/c1-2-28-16-7-5-15(6-8-16)24-19(25)14-17(20(24)26)22-9-11-23(12-10-22)21(27)18-4-3-13-29-18/h3-8,13,17H,2,9-12,14H2,1H3/p+1/t17-/m0/s1