2-[(1R)-1-methyl-1-[2-(1,2-oxazol-3-yl)ethyl]piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[(1R)-1-methyl-1-[2-(1,2-oxazol-3-yl)ethyl]piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[(1R)-1-(2-isoxazol-3-ylethyl)-1-methyl-piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(1R)-1-[2-(3-isoxazolyl)ethyl]-1-methyl-3-piperidin-1-iumyl]oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[(1R)-1-methyl-1-[2-(1,2-oxazol-3-yl)ethyl]piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenylethanolate Traditional Name: 2-[(1R)-1-(2-isoxazol-3-ylethyl)-1-methyl-piperidin-1-ium-3-yl]oxy-2-keto-1,1-diphenyl-ethanolate Formula: C25H28N2O4 MolecularWeight: 420.50082

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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=NOC=C4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCC4=NOC=C4

InChI

InChI=1S/C25H28N2O4/c1-27(17-14-22-15-18-30-26-22)16-8-13-23(19-27)31-24(28)25(29,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,15,18,23H,8,13-14,16-17,19H2,1H3/t23?,27-/m1/s1