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

Systemtic Name: N,N-dimethyl-1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium-4-amine; methanesulfonate Openeye Name: N,N-dimethyl-1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium-4-amine; methanesulfonate CAS Name: N,N-dimethyl-1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]-4-pyridin-1-iumamine; methanesulfonate IUPAC Name: N,N-dimethyl-1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium-4-amine; methanesulfonate Traditional Name: dimethyl-[1-[3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]pyridin-1-ium-4-yl]amine mesylate Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N2.CH4O3S/c1-25(2)24-16-19-26(20-17-24)18-8-13-22-11-6-7-12-23(22)15-14-21-9-4-3-5-10-21;1-5(2,3)4/h3-7,9-12,16-17,19-20H,18H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1