[(1R)-1-methyl-1-[2-oxidanylidene-2-(pyridazin-3-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R)-1-methyl-1-[2-oxidanylidene-2-(pyridazin-3-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [(1R)-1-methyl-1-[2-oxo-2-(3-pyridazinylamino)ethyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-[2-keto-2-(pyridazin-3-ylamino)ethyl]-1-methyl-piperidin-1-ium-3-yl] ester Formula: C26H35N4O4+ MolecularWeight: 467.5805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NN=CC=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NN=CC=C4

InChI

InChI=1S/C26H34N4O4/c1-30(19-24(31)28-23-15-8-16-27-29-23)17-9-14-22(18-30)34-25(32)26(33,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2,4-5,8,10-11,15-16,21-22,33H,3,6-7,9,12-14,17-19H2,1H3/p+1/t22?,26?,30-/m1/s1