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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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