methanesulfonate; 1-quinolin-1-ium-4-ylethanone

Systemtic Name: methanesulfonate; 1-quinolin-1-ium-4-ylethanone Openeye Name: methanesulfonate; 1-quinolin-1-ium-4-ylethanone CAS Name: methanesulfonate; 1-(4-quinolin-1-iumyl)ethanone IUPAC Name: methanesulfonate; 1-quinolin-1-ium-4-ylethanone Traditional Name: 1-quinolin-1-ium-4-ylethanone mesylate Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO.CH4O3S/c1-8(13)9-6-7-12-11-5-3-2-4-10(9)11;1-5(2,3)4/h2-7H,1H3;1H3,(H,2,3,4)