ethyl 1-methylpyridin-1-ium-4-carboxylate; 4-methylbenzenesulfonate

Systemtic Name: ethyl 1-methylpyridin-1-ium-4-carboxylate; 4-methylbenzenesulfonate Openeye Name: ethyl 1-methylpyridin-1-ium-4-carboxylate; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 1-methyl-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-methylpyridin-1-ium-4-carboxylate; 4-methylbenzenesulfonate Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid ethyl ester tosylate Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12NO2.C7H8O3S/c1-3-12-9(11)8-4-6-10(2)7-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1