[(2S)-1-[5-bromanyl-2-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]propan-2-yl]azanium

Systemtic Name: [(2S)-1-[5-bromanyl-2-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]propan-2-yl]azanium Openeye Name: [(1S)-2-[5-bromo-2-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]-1-methyl-ethyl]ammonium CAS Name: [(2S)-1-[5-bromo-2-[(2-methyl-6-phenyl-4-pyrimidinyl)oxy]phenyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[5-bromo-2-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-yl]azanium Traditional Name: [(1S)-2-[5-bromo-2-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]-1-methyl-ethyl]ammonium Formula: C20H21BrN3O+ MolecularWeight: 399.30424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)OC2=C(C=C(C=C2)Br)CC(C)[NH3+])C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)OC2=C(C=C(C=C2)Br)C[C@H](C)[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C20H20BrN3O/c1-13(22)10-16-11-17(21)8-9-19(16)25-20-12-18(23-14(2)24-20)15-6-4-3-5-7-15/h3-9,11-13H,10,22H2,1-2H3/p+1/t13-/m0/s1