(2S)-1-(2-pyrimidin-5-ylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(2-pyrimidin-5-ylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-pyrimidin-5-ylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-(5-pyrimidinyl)phenoxy]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-pyrimidin-5-ylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[2-(5-pyrimidyl)phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(COC2=CC=CC=C2C3=CN=CN=C3)O

Isomeric SMILES

C1CC[NH+](C1)C[C@@H](COC2=CC=CC=C2C3=CN=CN=C3)O

InChI

InChI=1S/C17H21N3O2/c21-15(11-20-7-3-4-8-20)12-22-17-6-2-1-5-16(17)14-9-18-13-19-10-14/h1-2,5-6,9-10,13,15,21H,3-4,7-8,11-12H2/p+1/t15-/m0/s1