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

Systemtic Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-(3-pyridin-2-ylpropyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-[3-(2-pyridyl)propyl]piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclopentyl-2-[[(1R)-1-methyl-1-[3-(2-pyridinyl)propyl]-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-(3-pyridin-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-pyridyl)propyl]piperidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C27H36N2O3 MolecularWeight: 436.58634

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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=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O3/c1-29(19-9-16-24-15-7-8-18-28-24)20-10-17-25(21-29)32-26(30)27(31,23-13-5-6-14-23)22-11-3-2-4-12-22/h2-4,7-8,11-12,15,18,23,25H,5-6,9-10,13-14,16-17,19-21H2,1H3/t25?,27?,29-/m1/s1