1-cyclohexyl-2-[(1R)-1-methyl-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate

Systemtic Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-[2-(4-pyridyl)ethyl]piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclohexyl-2-[[(1R)-1-methyl-1-(2-pyridin-4-ylethyl)-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclohexyl-2-keto-2-[(1R)-1-methyl-1-[2-(4-pyridyl)ethyl]piperidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C27H36N2O3 MolecularWeight: 436.58634

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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/C27H36N2O3/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/h2,4-5,9-10,14-15,17-18,24-25H,3,6-8,11-13,16,19-21H2,1H3/t25?,27?,29-/m1/s1