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

Systemtic Name: [(1R)-1-methyl-1-(2-pyridin-2-ylethyl)piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[2-(2-pyridyl)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-(2-pyridinyl)ethyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(2-pyridin-2-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-(2-pyridyl)ethyl]piperidin-1-ium-3-yl] ester Formula: C27H37N2O3+ MolecularWeight: 437.59428

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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=CC=CC=N4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CCC4=CC=CC=N4

InChI

InChI=1S/C27H37N2O3/c1-29(20-17-24-15-8-9-18-28-24)19-10-16-25(21-29)32-26(30)27(31,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2,4-5,8-9,11-12,15,18,23,25,31H,3,6-7,10,13-14,16-17,19-21H2,1H3/q+1/t25?,27?,29-/m1/s1