5-(4-fluorophenyl)-4-(4-methoxyphenyl)carbonyl-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione

Systemtic Name: 5-(4-fluorophenyl)-4-(4-methoxyphenyl)carbonyl-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione Openeye Name: 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione CAS Name: 5-(4-fluorophenyl)-4-[(4-methoxyphenyl)-oxomethyl]-1-[2-(1-piperazine-1,4-diiumyl)ethyl]pyrrolidine-2,3-dione IUPAC Name: 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione Traditional Name: 5-(4-fluorophenyl)-4-p-anisoyl-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-quinone Formula: C24H28FN3O4+2 MolecularWeight: 441.495223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC[NH+]3CC[NH2+]CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC[NH+]3CC[NH2+]CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O4/c1-32-19-8-4-17(5-9-19)22(29)20-21(16-2-6-18(25)7-3-16)28(24(31)23(20)30)15-14-27-12-10-26-11-13-27/h2-9,20-21,26H,10-15H2,1H3/p+2