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

Systemtic Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclohexyl-2-[[(1R)-1-methyl-1-phenethyl-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-phenethylpiperidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclohexyl-2-keto-2-[(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C28H37NO3 MolecularWeight: 435.59828

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO3/c1-29(21-19-23-12-5-2-6-13-23)20-11-18-26(22-29)32-27(30)28(31,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-3,5-8,12-15,25-26H,4,9-11,16-22H2,1H3/t26?,28?,29-/m1/s1