[(2S)-1-[3-bromanyl-5-methoxy-4-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]propan-2-yl]azanium

Systemtic Name: [(2S)-1-[3-bromanyl-5-methoxy-4-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]propan-2-yl]azanium Openeye Name: [(1S)-2-[3-bromo-5-methoxy-4-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]-1-methyl-ethyl]ammonium CAS Name: [(2S)-1-[3-bromo-5-methoxy-4-[(2-methyl-6-phenyl-4-pyrimidinyl)oxy]phenyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[3-bromo-5-methoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-yl]azanium Traditional Name: [(1S)-2-[3-bromo-5-methoxy-4-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]-1-methyl-ethyl]ammonium Formula: C21H23BrN3O2+ MolecularWeight: 429.33022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)OC2=C(C=C(C=C2Br)CC(C)[NH3+])OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)OC2=C(C=C(C=C2Br)C[C@H](C)[NH3+])OC)C3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O2/c1-13(23)9-15-10-17(22)21(19(11-15)26-3)27-20-12-18(24-14(2)25-20)16-7-5-4-6-8-16/h4-8,10-13H,9,23H2,1-3H3/p+1/t13-/m0/s1