(2S)-1-[2-(1H-pyrazol-5-yl)phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[2-(1H-pyrazol-5-yl)phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[2-(1H-pyrazol-5-yl)phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-(1H-pyrazol-5-yl)phenoxy]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-(1H-pyrazol-5-yl)phenoxy]-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[2-(1H-pyrazol-5-yl)phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(COC2=CC=CC=C2C3=CC=NN3)O

Isomeric SMILES

C1CC[NH+](C1)C[C@@H](COC2=CC=CC=C2C3=CC=NN3)O

InChI

InChI=1S/C16H21N3O2/c20-13(11-19-9-3-4-10-19)12-21-16-6-2-1-5-14(16)15-7-8-17-18-15/h1-2,5-8,13,20H,3-4,9-12H2,(H,17,18)/p+1/t13-/m0/s1