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

Systemtic Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclopentyl-2-[[(1R)-1-methyl-1-[2-(5-pyrimidinyl)ethyl]-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclopentyl-2-keto-2-[(1R)-1-methyl-1-[2-(5-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=CN=CN=C4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)[O-])CCC4=CN=CN=C4

InChI

InChI=1S/C25H33N3O3/c1-28(15-13-20-16-26-19-27-17-20)14-7-12-23(18-28)31-24(29)25(30,22-10-5-6-11-22)21-8-3-2-4-9-21/h2-4,8-9,16-17,19,22-23H,5-7,10-15,18H2,1H3/t23?,25?,28-/m1/s1