(3S)-3-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1-cyclopropyl-3-(2-methylphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1-cyclopropyl-3-(2-methylphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1-cyclopropyl-3-(o-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[2-(4-cyclohexyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-cyclopropyl-3-(2-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxoethyl]-1-cyclopropyl-3-(2-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1-cyclopropyl-3-(o-tolyl)pyrrolidine-2,5-quinone Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CC(=O)N(C2=O)C3CC3)CC(=O)N4CC[NH+](CC4)C5CCCCC5

Isomeric SMILES

CC1=CC=CC=C1[C@@]2(CC(=O)N(C2=O)C3CC3)CC(=O)N4CC[NH+](CC4)C5CCCCC5

InChI

InChI=1S/C26H35N3O3/c1-19-7-5-6-10-22(19)26(18-24(31)29(25(26)32)21-11-12-21)17-23(30)28-15-13-27(14-16-28)20-8-3-2-4-9-20/h5-7,10,20-21H,2-4,8-9,11-18H2,1H3/p+1/t26-/m0/s1