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

Systemtic Name: methanesulfonate; 1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium-4-amine Openeye Name: methanesulfonate; 1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium-4-amine CAS Name: methanesulfonate; 1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]-4-pyridin-1-iumamine IUPAC Name: methanesulfonate; 1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium-4-amine Traditional Name: [1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium-4-yl]amine mesylate Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)C#CC2=CC=CC=C2C#CC[N+]3=CC=C(C=C3)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)C#CC2=CC=CC=C2C#CC[N+]3=CC=C(C=C3)N

InChI

InChI=1S/C22H16N2.CH4O3S/c23-22-14-17-24(18-15-22)16-6-11-20-9-4-5-10-21(20)13-12-19-7-2-1-3-8-19;1-5(2,3)4/h1-5,7-10,14-15,17-18,23H,16H2;1H3,(H,2,3,4)