(3R,5R)-1-methyl-5-[2-(2-phenethylphenoxy)ethyl]pyrrolidin-1-ium-3-ol chloride

Systemtic Name: (3R,5R)-1-methyl-5-[2-(2-phenethylphenoxy)ethyl]pyrrolidin-1-ium-3-ol chloride Openeye Name: (3R,5R)-1-methyl-5-[2-(2-phenethylphenoxy)ethyl]pyrrolidin-1-ium-3-ol chloride CAS Name: (3R,5R)-1-methyl-5-[2-(2-phenethylphenoxy)ethyl]-3-pyrrolidin-1-iumol chloride IUPAC Name: (3R,5R)-1-methyl-5-[2-(2-phenethylphenoxy)ethyl]pyrrolidin-1-ium-3-ol chloride Traditional Name: (3R,5R)-1-methyl-5-[2-(2-phenethylphenoxy)ethyl]pyrrolidin-1-ium-3-ol chloride Formula: C21H28ClNO2 MolecularWeight: 361.90552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(CC1CCOC2=CC=CC=C2CCC3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C[NH+]1C[C@@H](C[C@H]1CCOC2=CC=CC=C2CCC3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C21H27NO2.ClH/c1-22-16-20(23)15-19(22)13-14-24-21-10-6-5-9-18(21)12-11-17-7-3-2-4-8-17;/h2-10,19-20,23H,11-16H2,1H3;1H/t19-,20-;/m1./s1