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

Systemtic Name: [(1R)-1-methyl-1-(2-pyrimidin-4-ylethyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-(2-pyrimidin-4-ylethyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-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-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-methyl-1-[2-(4-pyrimidyl)ethyl]piperidin-1-ium-3-yl] ester Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCC4=NC=NC=C4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCC4=NC=NC=C4

InChI

InChI=1S/C25H34N3O3/c1-28(17-14-22-13-15-26-19-27-22)16-7-12-23(18-28)31-24(29)25(30,21-10-5-6-11-21)20-8-3-2-4-9-20/h2-4,8-9,13,15,19,21,23,30H,5-7,10-12,14,16-18H2,1H3/q+1/t23?,25?,28-/m1/s1