2-[3-bromanyl-5-methoxy-4-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]ethylazanium

Systemtic Name: 2-[3-bromanyl-5-methoxy-4-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]ethylazanium Openeye Name: 2-[3-bromo-5-methoxy-4-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]ethylammonium CAS Name: 2-[3-bromo-5-methoxy-4-[(2-methyl-6-phenyl-4-pyrimidinyl)oxy]phenyl]ethylammonium IUPAC Name: 2-[3-bromo-5-methoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]ethylazanium Traditional Name: 2-[3-bromo-5-methoxy-4-(2-methyl-6-phenyl-pyrimidin-4-yl)oxy-phenyl]ethylammonium Formula: C20H21BrN3O2+ MolecularWeight: 415.30364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O2/c1-13-23-17(15-6-4-3-5-7-15)12-19(24-13)26-20-16(21)10-14(8-9-22)11-18(20)25-2/h3-7,10-12H,8-9,22H2,1-2H3/p+1