benzenesulfonate; 1-(1-methylpyridin-1-ium-4-yl)ethanone

Systemtic Name: benzenesulfonate; 1-(1-methylpyridin-1-ium-4-yl)ethanone Openeye Name: benzenesulfonate; 1-(1-methylpyridin-1-ium-4-yl)ethanone CAS Name: benzenesulfonate; 1-(1-methyl-4-pyridin-1-iumyl)ethanone IUPAC Name: benzenesulfonate; 1-(1-methylpyridin-1-ium-4-yl)ethanone Traditional Name: 1-(1-methylpyridin-1-ium-4-yl)ethanone besylate Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=[N+](C=C1)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=[N+](C=C1)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C8H10NO.C6H6O3S/c1-7(10)8-3-5-9(2)6-4-8;7-10(8,9)6-4-2-1-3-5-6/h3-6H,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1