2-[[(3S)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[[(3S)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[[(3S)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl]methoxy]-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(3S)-1-methyl-1-phenethyl-3-pyrrolidin-1-iumyl]methoxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[(3S)-1-methyl-1-phenethylpyrrolidin-1-ium-3-yl]methoxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[[(3S)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl]methoxy]-1,1-diphenyl-ethanolate Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CC[C@@H](C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO3/c1-29(19-17-23-11-5-2-6-12-23)20-18-24(21-29)22-32-27(30)28(31,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,24H,17-22H2,1H3/t24-,29?/m0/s1