(2S)-1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(3,5-dimethylphenoxy)-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C15H24NO2+ MolecularWeight: 250.35656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(C[NH+]2CCCC2)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@H](C[NH+]2CCCC2)O)C

InChI

InChI=1S/C15H23NO2/c1-12-7-13(2)9-15(8-12)18-11-14(17)10-16-5-3-4-6-16/h7-9,14,17H,3-6,10-11H2,1-2H3/p+1/t14-/m0/s1