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

Systemtic Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclohexyl-2-[[(1R)-1-methyl-1-(3-phenylpropyl)-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclohexyl-2-keto-2-[(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C29H39NO3 MolecularWeight: 449.62486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39NO3/c1-30(21-11-15-24-13-5-2-6-14-24)22-12-20-27(23-30)33-28(31)29(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-3,5-8,13-14,16-17,26-27H,4,9-12,15,18-23H2,1H3/t27?,29?,30-/m1/s1