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

Systemtic Name: [(1R)-1-methyl-1-(2-pyrimidin-4-ylethyl)piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-(2-pyrimidin-4-ylethyl)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-(4-pyrimidinyl)ethyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(2-pyrimidin-4-ylethyl)piperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-methyl-1-[2-(4-pyrimidyl)ethyl]piperidin-1-ium-3-yl] ester Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CCC4=NC=NC=C4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CCC4=NC=NC=C4

InChI

InChI=1S/C26H36N3O3/c1-29(18-15-23-14-16-27-20-28-23)17-8-13-24(19-29)32-25(30)26(31,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2,4-5,9-10,14,16,20,22,24,31H,3,6-8,11-13,15,17-19H2,1H3/q+1/t24?,26?,29-/m1/s1