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

Systemtic Name: [(1R)-1-methyl-1-(2-pyridin-2-ylethyl)piperidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[2-(2-pyridyl)ethyl]piperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic 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-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(1R)-1-methyl-1-[2-(2-pyridyl)ethyl]piperidin-1-ium-3-yl] ester Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCC4=CC=CC=N4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCC4=CC=CC=N4

InChI

InChI=1S/C27H31N2O3/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/h2-9,11-15,18,25,31H,10,16-17,19-21H2,1H3/q+1/t25?,29-/m1/s1