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

Systemtic Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-[2-(3-pyridyl)ethyl]piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclohexyl-2-[[(1R)-1-methyl-1-[2-(3-pyridinyl)ethyl]-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclohexyl-2-keto-2-[(1R)-1-methyl-1-[2-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O3/c1-29(19-16-22-10-8-17-28-20-22)18-9-15-25(21-29)32-26(30)27(31,23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2,4-5,8,10-12,17,20,24-25H,3,6-7,9,13-16,18-19,21H2,1H3/t25?,27?,29-/m1/s1