[(3S)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [(3S)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(3S)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl]methyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(3S)-1-methyl-1-phenethyl-3-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(3S)-1-methyl-1-phenethylpyrrolidin-1-ium-3-yl]methyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(3S)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl]methyl ester Formula: C28H32NO3+ MolecularWeight: 430.55858

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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/C28H32NO3/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/h2-16,24,31H,17-22H2,1H3/q+1/t24-,29?/m0/s1