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

Systemtic Name: (3S)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-(o-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-(2-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2-furoyl)piperazin-1-ium-1-yl]-1-(o-tolyl)pyrrolidine-2,5-quinone Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H21N3O4/c1-14-5-2-3-6-15(14)23-18(24)13-16(19(23)25)21-8-10-22(11-9-21)20(26)17-7-4-12-27-17/h2-7,12,16H,8-11,13H2,1H3/p+1/t16-/m0/s1