2-[(3R)-1-methyl-1-[2-oxidanylidene-2-(pyridazin-3-ylamino)ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[(3R)-1-methyl-1-[2-oxidanylidene-2-(pyridazin-3-ylamino)ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[(3R)-1-methyl-1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(3R)-1-methyl-1-[2-oxo-2-(3-pyridazinylamino)ethyl]-3-pyrrolidin-1-iumyl]oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[(3R)-1-methyl-1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[(3R)-1-[2-keto-2-(pyridazin-3-ylamino)ethyl]-1-methyl-pyrrolidin-1-ium-3-yl]oxy-1,1-diphenyl-ethanolate Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CC(=O)NC4=NN=CC=C4

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CC(=O)NC4=NN=CC=C4

InChI

InChI=1S/C25H26N4O4/c1-29(18-23(30)27-22-13-8-15-26-28-22)16-14-21(17-29)33-24(31)25(32,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-13,15,21H,14,16-18H2,1H3,(H,27,28,30)/t21-,29?/m1/s1