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

Systemtic Name: [(2S)-1-[3-methoxy-2-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]propan-2-yl]azanium Openeye Name: [(1S)-2-[3-methoxy-2-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]-1-methyl-ethyl]ammonium CAS Name: [(2S)-1-[3-methoxy-2-[(2-methyl-6-phenyl-4-pyrimidinyl)oxy]phenyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[3-methoxy-2-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-yl]azanium Traditional Name: [(1S)-2-[3-methoxy-2-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]-1-methyl-ethyl]ammonium Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)OC2=C(C=CC=C2OC)CC(C)[NH3+])C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)OC2=C(C=CC=C2OC)C[C@H](C)[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-14(22)12-17-10-7-11-19(25-3)21(17)26-20-13-18(23-15(2)24-20)16-8-5-4-6-9-16/h4-11,13-14H,12,22H2,1-3H3/p+1/t14-/m0/s1