3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenyl-pyridin-1-ium; methanesulfonate

Systemtic Name: 3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenyl-pyridin-1-ium; methanesulfonate Openeye Name: 3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenyl-pyridin-1-ium; methanesulfonate CAS Name: 3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenylpyridin-1-ium; methanesulfonate IUPAC Name: 3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenylpyridin-1-ium; methanesulfonate Traditional Name: 3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenyl-pyridin-1-ium mesylate Formula: C20H20BrNO4S MolecularWeight: 450.3461

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C(=C1)C2=CC=CC=C2)OC)C3=CC(=CC=C3)Br.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC(=C(C(=C1)C2=CC=CC=C2)OC)C3=CC(=CC=C3)Br.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H17BrNO.CH4O3S/c1-21-12-17(14-7-4-3-5-8-14)19(22-2)18(13-21)15-9-6-10-16(20)11-15;1-5(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1