methanesulfonate; 4-methoxy-1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium

Systemtic Name: methanesulfonate; 4-methoxy-1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium Openeye Name: methanesulfonate; 4-methoxy-1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium CAS Name: methanesulfonate; 4-methoxy-1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium IUPAC Name: methanesulfonate; 4-methoxy-1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium Traditional Name: 4-methoxy-1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium mesylate Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=[N+](C=C1)CC#CC2=CC=CC=C2C#CC3=CC=CC=C3.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=[N+](C=C1)CC#CC2=CC=CC=C2C#CC3=CC=CC=C3.CS(=O)(=O)[O-]

InChI

InChI=1S/C23H18NO.CH4O3S/c1-25-23-15-18-24(19-16-23)17-7-12-21-10-5-6-11-22(21)14-13-20-8-3-2-4-9-20;1-5(2,3)4/h2-6,8-11,15-16,18-19H,17H2,1H3;1H3,(H,2,3,4)/q+1;/p-1