2-[[(2R)-1-methyl-1-(2-oxidanylidene-2-phenylazanyl-ethyl)pyrrolidin-1-ium-2-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[[(2R)-1-methyl-1-(2-oxidanylidene-2-phenylazanyl-ethyl)pyrrolidin-1-ium-2-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[[(2R)-1-(2-anilino-2-oxo-ethyl)-1-methyl-pyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(2R)-1-(2-anilino-2-oxoethyl)-1-methyl-2-pyrrolidin-1-iumyl]methoxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[(2R)-1-(2-anilino-2-oxoethyl)-1-methylpyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-[[(2R)-1-(2-anilino-2-keto-ethyl)-1-methyl-pyrrolidin-1-ium-2-yl]methoxy]-2-keto-1,1-diphenyl-ethanolate Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC[C@@H]1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O4/c1-30(20-26(31)29-24-16-9-4-10-17-24)19-11-18-25(30)21-34-27(32)28(33,22-12-5-2-6-13-22)23-14-7-3-8-15-23/h2-10,12-17,25H,11,18-21H2,1H3,(H,29,31)/t25-,30?/m1/s1