[3-bromanyl-5-methoxy-4-(6-phenylpyrimidin-4-yl)oxy-phenyl]methylazanium

Systemtic Name: [3-bromanyl-5-methoxy-4-(6-phenylpyrimidin-4-yl)oxy-phenyl]methylazanium Openeye Name: [3-bromo-5-methoxy-4-(6-phenylpyrimidin-4-yl)oxy-phenyl]methylammonium CAS Name: [3-bromo-5-methoxy-4-[(6-phenyl-4-pyrimidinyl)oxy]phenyl]methylammonium IUPAC Name: [3-bromo-5-methoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]methylazanium Traditional Name: [3-bromo-5-methoxy-4-(6-phenylpyrimidin-4-yl)oxy-benzyl]ammonium Formula: C18H17BrN3O2+ MolecularWeight: 387.25048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH3+])Br)OC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH3+])Br)OC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H16BrN3O2/c1-23-16-8-12(10-20)7-14(19)18(16)24-17-9-15(21-11-22-17)13-5-3-2-4-6-13/h2-9,11H,10,20H2,1H3/p+1