methanesulfonate; 1-(1-methylquinolin-1-ium-4-yl)ethanone

Systemtic Name: methanesulfonate; 1-(1-methylquinolin-1-ium-4-yl)ethanone Openeye Name: methanesulfonate; 1-(1-methylquinolin-1-ium-4-yl)ethanone CAS Name: methanesulfonate; 1-(1-methyl-4-quinolin-1-iumyl)ethanone IUPAC Name: methanesulfonate; 1-(1-methylquinolin-1-ium-4-yl)ethanone Traditional Name: 1-(1-methylquinolin-1-ium-4-yl)ethanone mesylate Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=[N+](C2=CC=CC=C12)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=[N+](C2=CC=CC=C12)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H12NO.CH4O3S/c1-9(14)10-7-8-13(2)12-6-4-3-5-11(10)12;1-5(2,3)4/h3-8H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1