2-[1-methyl-1-(3-pyridin-4-ylpropyl)piperidin-1-ium-4-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[1-methyl-1-(3-pyridin-4-ylpropyl)piperidin-1-ium-4-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[1-methyl-1-[3-(4-pyridyl)propyl]piperidin-1-ium-4-yl]oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[1-methyl-1-(3-pyridin-4-ylpropyl)-4-piperidin-1-iumyl]oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[1-methyl-1-(3-pyridin-4-ylpropyl)piperidin-1-ium-4-yl]oxy-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[1-methyl-1-[3-(4-pyridyl)propyl]piperidin-1-ium-4-yl]oxy-1,1-diphenyl-ethanolate Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCCC4=CC=NC=C4

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCCC4=CC=NC=C4

InChI

InChI=1S/C28H32N2O3/c1-30(20-8-9-23-14-18-29-19-15-23)21-16-26(17-22-30)33-27(31)28(32,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-7,10-15,18-19,26H,8-9,16-17,20-22H2,1H3