(phenylmethyl) 4-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-2-oxidanylidene-1,3-dihydropyrazin-4-ium-4-carboxylate

Systemtic Name: (phenylmethyl) 4-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-2-oxidanylidene-1,3-dihydropyrazin-4-ium-4-carboxylate Openeye Name: benzyl 4-[[1-(tert-butoxycarbonylamino)cyclohexyl]methyl]-2-oxo-1,3-dihydropyrazin-4-ium-4-carboxylate CAS Name: 4-[[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]methyl]-2-oxo-1,3-dihydropyrazin-4-ium-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-2-oxo-1,3-dihydropyrazin-4-ium-4-carboxylate Traditional Name: 4-[[1-(tert-butoxycarbonylamino)cyclohexyl]methyl]-2-keto-1,3-dihydropyrazin-4-ium-4-carboxylic acid benzyl ester Formula: C24H34N3O5+ MolecularWeight: 444.54386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCCCC1)C[N+]2(CC(=O)NC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CCCCC1)C[N+]2(CC(=O)NC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O5/c1-23(2,3)32-21(29)26-24(12-8-5-9-13-24)18-27(15-14-25-20(28)16-27)22(30)31-17-19-10-6-4-7-11-19/h4,6-7,10-11,14-15H,5,8-9,12-13,16-18H2,1-3H3,(H-,25,26,28,29)/p+1