(3R)-3-(4-cyclohexylpiperazin-4-ium-1-yl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-(4-cyclohexylpiperazin-4-ium-1-yl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-cyclohexylpiperazin-4-ium-1-yl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione CAS Name: (3R)-3-(4-cyclohexyl-1-piperazin-4-iumyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-cyclohexylpiperazin-4-ium-1-yl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-cyclohexylpiperazin-4-ium-1-yl)-1-(4-fluorobenzyl)pyrrolidine-2,5-quinone Formula: C21H29FN3O2+ MolecularWeight: 374.472263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3CC(=O)N(C3=O)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)[C@@H]3CC(=O)N(C3=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H28FN3O2/c22-17-8-6-16(7-9-17)15-25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)18-4-2-1-3-5-18/h6-9,18-19H,1-5,10-15H2/p+1/t19-/m1/s1