tert-butyl 4-[[(4R)-4-methyl-2,5-bis(oxidanylidene)-3-phenyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[[(4R)-4-methyl-2,5-bis(oxidanylidene)-3-phenyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[[(4R)-4-methyl-2,5-dioxo-3-phenyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[(4R)-4-methyl-2,5-dioxo-3-phenyl-1-imidazolidinyl]methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(4R)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[(4R)-2,5-diketo-4-methyl-3-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:

CC1C(=O)N(C(=O)N1C2=CC=CC=C2)C[NH+]3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1C(=O)N(C(=O)N1C2=CC=CC=C2)C[NH+]3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N4O4/c1-15-17(25)23(18(26)24(15)16-8-6-5-7-9-16)14-21-10-12-22(13-11-21)19(27)28-20(2,3)4/h5-9,15H,10-14H2,1-4H3/p+1/t15-/m1/s1