[(2S)-1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxy-phenyl]propan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(C)[NH3+])OC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[C@H](C)[NH3+])OC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-3-25-20-12-16(11-15(2)22)9-10-19(20)26-21-13-18(23-14-24-21)17-7-5-4-6-8-17/h4-10,12-15H,3,11,22H2,1-2H3/p+1/t15-/m0/s1