[(1R)-1-methyl-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R)-1-methyl-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [(1R)-1-methyl-1-[2-oxo-2-(4-pyrimidinylamino)ethyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-[2-keto-2-(4-pyrimidylamino)ethyl]-1-methyl-piperidin-1-ium-3-yl] ester Formula: C26H35N4O4+ MolecularWeight: 467.5805

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=NC=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=NC=C4

InChI

InChI=1S/C26H34N4O4/c1-30(18-24(31)29-23-14-15-27-19-28-23)16-8-13-22(17-30)34-25(32)26(33,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2,4-5,9-10,14-15,19,21-22,33H,3,6-8,11-13,16-18H2,1H3/p+1/t22?,26?,30-/m1/s1