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

Systemtic Name: 2-[(1R)-1-methyl-1-[3-(1,2-oxazol-3-yl)propyl]piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[(1R)-1-(3-isoxazol-3-ylpropyl)-1-methyl-piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(1R)-1-[3-(3-isoxazolyl)propyl]-1-methyl-3-piperidin-1-iumyl]oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[(1R)-1-methyl-1-[3-(1,2-oxazol-3-yl)propyl]piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenylethanolate Traditional Name: 2-[(1R)-1-(3-isoxazol-3-ylpropyl)-1-methyl-piperidin-1-ium-3-yl]oxy-2-keto-1,1-diphenyl-ethanolate Formula: C26H30N2O4 MolecularWeight: 434.5274

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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-])CCCC4=NOC=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCCC4=NOC=C4

InChI

InChI=1S/C26H30N2O4/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/h2-7,10-13,16,19,24H,8-9,14-15,17-18,20H2,1H3/t24?,28-/m1/s1