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

Systemtic Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-(3-pyrimidin-2-ylpropyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-(3-pyrimidin-2-ylpropyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclopentyl-2-[[(1R)-1-methyl-1-[3-(2-pyrimidinyl)propyl]-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-(3-pyrimidin-2-ylpropyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclopentyl-2-keto-2-[(1R)-1-methyl-1-[3-(2-pyrimidyl)propyl]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(C2CCCC2)(C3=CC=CC=C3)[O-])CCCC4=NC=CC=N4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)[O-])CCCC4=NC=CC=N4

InChI

InChI=1S/C26H35N3O3/c1-29(19-8-15-24-27-16-9-17-28-24)18-7-14-23(20-29)32-25(30)26(31,22-12-5-6-13-22)21-10-3-2-4-11-21/h2-4,9-11,16-17,22-23H,5-8,12-15,18-20H2,1H3/t23?,26?,29-/m0/s1