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

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

Click to see the large picture

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=CC=N4

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCCC4=CC=CC=N4

InChI

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