2-(4-bromophenyl)-4-(1,3-dioxolan-2-yl)-3-methoxy-pyridine; methanesulfonate

Systemtic Name: 2-(4-bromophenyl)-4-(1,3-dioxolan-2-yl)-3-methoxy-pyridine; methanesulfonate Openeye Name: 2-(4-bromophenyl)-4-(1,3-dioxolan-2-yl)-3-methoxy-pyridine; methanesulfonate CAS Name: 2-(4-bromophenyl)-4-(1,3-dioxolan-2-yl)-3-methoxypyridine; methanesulfonate IUPAC Name: 2-(4-bromophenyl)-4-(1,3-dioxolan-2-yl)-3-methoxypyridine; methanesulfonate Traditional Name: 2-(4-bromophenyl)-4-(1,3-dioxolan-2-yl)-3-methoxy-pyridine mesylate Formula: C16H17BrNO6S- MolecularWeight: 431.27828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CN=C1C2=CC=C(C=C2)Br)C3OCCO3.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=CN=C1C2=CC=C(C=C2)Br)C3OCCO3.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H14BrNO3.CH4O3S/c1-18-14-12(15-19-8-9-20-15)6-7-17-13(14)10-2-4-11(16)5-3-10;1-5(2,3)4/h2-7,15H,8-9H2,1H3;1H3,(H,2,3,4)/p-1