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

Systemtic Name: [(1R)-1-methyl-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[2-(4-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-pyridin-4-ylethyl)-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(2-pyridin-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-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=NC=C4

Isomeric SMILES

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

InChI

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