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

Systemtic Name: [(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-phenethyl-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-phenethyl-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-phenethylpiperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl] ester Formula: C27H36NO3+ MolecularWeight: 422.57964

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H36NO3/c1-28(20-18-22-11-4-2-5-12-22)19-10-17-25(21-28)31-26(29)27(30,24-15-8-9-16-24)23-13-6-3-7-14-23/h2-7,11-14,24-25,30H,8-10,15-21H2,1H3/q+1/t25?,27?,28-/m1/s1