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

Systemtic Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclopentyl-2-[[(1R)-1-methyl-1-[2-(2-pyrimidinyl)ethyl]-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclopentyl-2-keto-2-[(1R)-1-methyl-1-[2-(2-pyrimidyl)ethyl]piperidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)[O-])CCC4=NC=CC=N4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)[O-])CCC4=NC=CC=N4

InChI

InChI=1S/C25H33N3O3/c1-28(18-14-23-26-15-8-16-27-23)17-7-13-22(19-28)31-24(29)25(30,21-11-5-6-12-21)20-9-3-2-4-10-20/h2-4,8-10,15-16,21-22H,5-7,11-14,17-19H2,1H3/t22?,25?,28-/m1/s1