tert-butyl 4-[[(4R)-4-methyl-2,5-bis(oxidanylidene)-4-phenyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[[(4R)-4-methyl-2,5-bis(oxidanylidene)-4-phenyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[[(4R)-4-methyl-2,5-dioxo-4-phenyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[(4R)-4-methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl]methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[(4R)-2,5-diketo-4-methyl-4-phenyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H28N4O4/c1-19(2,3)28-18(27)23-12-10-22(11-13-23)14-24-16(25)20(4,21-17(24)26)15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,21,26)/p+1/t20-/m1/s1