2-[(1R)-1-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[(1R)-1-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[(1R)-1-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(1R)-1-methyl-1-[2-(5-pyrimidinyl)ethyl]-3-piperidin-1-iumyl]oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[(1R)-1-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[(1R)-1-methyl-1-[2-(5-pyrimidyl)ethyl]piperidin-1-ium-3-yl]oxy-1,1-diphenyl-ethanolate Formula: C26H29N3O3 MolecularWeight: 431.52676

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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=CN=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-29(16-14-21-17-27-20-28-18-21)15-8-13-24(19-29)32-25(30)26(31,22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-7,9-12,17-18,20,24H,8,13-16,19H2,1H3/t24?,29-/m1/s1