(2R)-1-(4-bromanyl-1-methyl-pyrazol-1-ium-1-yl)-3-phenoxy-propan-2-ol

Systemtic Name: (2R)-1-(4-bromanyl-1-methyl-pyrazol-1-ium-1-yl)-3-phenoxy-propan-2-ol Openeye Name: (2R)-1-(4-bromo-1-methyl-pyrazol-1-ium-1-yl)-3-phenoxy-propan-2-ol CAS Name: (2R)-1-(4-bromo-1-methyl-1-pyrazol-1-iumyl)-3-phenoxy-2-propanol IUPAC Name: (2R)-1-(4-bromo-1-methylpyrazol-1-ium-1-yl)-3-phenoxypropan-2-ol Traditional Name: (2R)-1-(4-bromo-1-methyl-pyrazol-1-ium-1-yl)-3-phenoxy-propan-2-ol Formula: C13H16BrN2O2+ MolecularWeight: 312.18234

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C=N1)Br)CC(COC2=CC=CC=C2)O

Isomeric SMILES

C[N+]1(C=C(C=N1)Br)C[C@H](COC2=CC=CC=C2)O

InChI

InChI=1S/C13H16BrN2O2/c1-16(8-11(14)7-15-16)9-12(17)10-18-13-5-3-2-4-6-13/h2-8,12,17H,9-10H2,1H3/q+1/t12-,16?/m1/s1