[2-[[(4R)-4-methyl-2,5-bis(oxidanylidene)-4-phenethyl-imidazolidin-1-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[(4R)-4-methyl-2,5-bis(oxidanylidene)-4-phenethyl-imidazolidin-1-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[(4R)-4-methyl-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[(4R)-4-methyl-2,5-dioxo-4-phenethyl-1-imidazolidinyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4R)-4-methyl-2,5-dioxo-4-phenethylimidazolidin-1-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[[(4R)-2,5-diketo-4-methyl-4-phenethyl-imidazolidin-1-yl]amino]-2-keto-ethyl] ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])CCC3=CC=CC=C3

Isomeric SMILES

C[C@]1(C(=O)N(C(=O)N1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O6/c1-20(10-7-14-5-3-2-4-6-14)18(27)24(19(28)21-20)22-16(25)13-30-17(26)15-8-11-23(29)12-9-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,21,28)(H,22,25)/t20-/m1/s1