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

Systemtic Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclohexyl-2-[[(1R)-1-methyl-1-[2-(2-pyrimidinyl)ethyl]-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclohexyl-2-[(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclohexyl-2-keto-2-[(1R)-1-methyl-1-[2-(2-pyrimidyl)ethyl]piperidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C26H35N3O3 MolecularWeight: 437.5744

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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=NC=CC=N4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)[O-])CCC4=NC=CC=N4

InChI

InChI=1S/C26H35N3O3/c1-29(19-15-24-27-16-9-17-28-24)18-8-14-23(20-29)32-25(30)26(31,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2,4-5,9-11,16-17,22-23H,3,6-8,12-15,18-20H2,1H3/t23?,26?,29-/m1/s1