(2S)-2-[(2R,5R)-2,5-diphenethylpyrrolidin-1-ium-1-yl]-2-phenyl-ethanol

Systemtic Name: (2S)-2-[(2R,5R)-2,5-diphenethylpyrrolidin-1-ium-1-yl]-2-phenyl-ethanol Openeye Name: (2S)-2-[(2R,5R)-2,5-diphenethylpyrrolidin-1-ium-1-yl]-2-phenyl-ethanol CAS Name: (2S)-2-[(2R,5R)-2,5-diphenethyl-1-pyrrolidin-1-iumyl]-2-phenylethanol IUPAC Name: (2S)-2-[(2R,5R)-2,5-diphenethylpyrrolidin-1-ium-1-yl]-2-phenylethanol Traditional Name: (2S)-2-[(2R,5R)-2,5-diphenethylpyrrolidin-1-ium-1-yl]-2-phenyl-ethanol Formula: C28H34NO+ MolecularWeight: 400.57566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1CCC2=CC=CC=C2)C(CO)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[C@H]([NH+]([C@@H]1CCC2=CC=CC=C2)[C@H](CO)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H33NO/c30-22-28(25-14-8-3-9-15-25)29-26(18-16-23-10-4-1-5-11-23)20-21-27(29)19-17-24-12-6-2-7-13-24/h1-15,26-28,30H,16-22H2/p+1/t26-,27-,28-/m1/s1