2-[(3S,4R)-4-(hydroxymethyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]phenol

Systemtic Name: 2-[(3S,4R)-4-(hydroxymethyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]phenol Openeye Name: 2-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-1-ium-3-yl]phenol CAS Name: 2-[(3S,4R)-4-(hydroxymethyl)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]phenol IUPAC Name: 2-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-1-ium-3-yl]phenol Traditional Name: 2-[(3S,4R)-1-benzyl-4-methylol-pyrrolidin-1-ium-3-yl]phenol Formula: C18H22NO2+ MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C[NH+]1CC2=CC=CC=C2)C3=CC=CC=C3O)CO

Isomeric SMILES

C1[C@@H]([C@H](C[NH+]1CC2=CC=CC=C2)C3=CC=CC=C3O)CO

InChI

InChI=1S/C18H21NO2/c20-13-15-11-19(10-14-6-2-1-3-7-14)12-17(15)16-8-4-5-9-18(16)21/h1-9,15,17,20-21H,10-13H2/p+1/t15-,17+/m1/s1