1-cyclohexyl-2-[(1R)-1-methyl-1-[3-(1,2-oxazol-3-yl)propyl]piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate

Systemtic Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-[3-(1,2-oxazol-3-yl)propyl]piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclohexyl-2-[(1R)-1-(3-isoxazol-3-ylpropyl)-1-methyl-piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclohexyl-2-[[(1R)-1-[3-(3-isoxazolyl)propyl]-1-methyl-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-[3-(1,2-oxazol-3-yl)propyl]piperidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclohexyl-2-[(1R)-1-(3-isoxazol-3-ylpropyl)-1-methyl-piperidin-1-ium-3-yl]oxy-2-keto-1-phenyl-ethanolate Formula: C26H36N2O4 MolecularWeight: 440.57504

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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=NOC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4/c1-28(17-8-14-23-16-19-31-27-23)18-9-15-24(20-28)32-25(29)26(30,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2,4-5,10-11,16,19,22,24H,3,6-9,12-15,17-18,20H2,1H3/t24?,26?,28-/m1/s1