[(2R)-1-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-2-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [(2R)-1-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-2-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(2R)-1-[(E)-cinnamyl]-1-methyl-pyrrolidin-1-ium-2-yl]methyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(2R)-1-methyl-1-[(E)-3-phenylprop-2-enyl]-2-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(2R)-1-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-2-yl]methyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(2R)-1-[(E)-cinnamyl]-1-methyl-pyrrolidin-1-ium-2-yl]methyl ester Formula: C29H32NO3+ MolecularWeight: 442.56928

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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=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H32NO3/c1-30(21-11-15-24-13-5-2-6-14-24)22-12-20-27(30)23-33-28(31)29(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-11,13-19,27,32H,12,20-23H2,1H3/q+1/b15-11+/t27-,30?/m1/s1