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

Systemtic Name: [(1R)-1-methyl-1-(3-pyridin-4-ylpropyl)piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[3-(4-pyridyl)propyl]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-(3-pyridin-4-ylpropyl)-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(3-pyridin-4-ylpropyl)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-[3-(4-pyridyl)propyl]piperidin-1-ium-3-yl] ester Formula: C28H39N2O3+ MolecularWeight: 451.62086

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CCCC4=CC=NC=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CCCC4=CC=NC=C4

InChI

InChI=1S/C28H39N2O3/c1-30(20-8-10-23-16-18-29-19-17-23)21-9-15-26(22-30)33-27(31)28(32,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2,4-5,11-12,16-19,25-26,32H,3,6-10,13-15,20-22H2,1H3/q+1/t26?,28?,30-/m1/s1