1-ethylpyridin-1-ium-4-carbonitrile; methanesulfonic acid

Systemtic Name: 1-ethylpyridin-1-ium-4-carbonitrile; methanesulfonic acid Openeye Name: 1-ethylpyridin-1-ium-4-carbonitrile; methanesulfonic acid CAS Name: 1-ethyl-4-pyridin-1-iumcarbonitrile; methanesulfonic acid IUPAC Name: 1-ethylpyridin-1-ium-4-carbonitrile; methanesulfonic acid Traditional Name: 1-ethylpyridin-1-ium-4-carbonitrile; mesylic acid Formula: C9H13N2O3S+ MolecularWeight: 229.27612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)C#N.CS(=O)(=O)O

Isomeric SMILES

CC[N+]1=CC=C(C=C1)C#N.CS(=O)(=O)O

InChI

InChI=1S/C8H9N2.CH4O3S/c1-2-10-5-3-8(7-9)4-6-10;1-5(2,3)4/h3-6H,2H2,1H3;1H3,(H,2,3,4)/q+1;