4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-1-morpholin-4-yl-ethanone

Systemtic Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-1-morpholin-4-yl-ethanone Openeye Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-1-morpholino-ethanone CAS Name: 4-methylbenzenesulfonate; 2-(1-methyl-4-pyridin-1-iumyl)-1-(4-morpholinyl)ethanone IUPAC Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-1-morpholin-4-ylethanone Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-1-morpholino-ethanone tosylate Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)CC(=O)N2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)CC(=O)N2CCOCC2

InChI

InChI=1S/C12H17N2O2.C7H8O3S/c1-13-4-2-11(3-5-13)10-12(15)14-6-8-16-9-7-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,6-10H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1