4-methylbenzenesulfonic acid; prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

Systemtic Name: 4-methylbenzenesulfonic acid; prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate Openeye Name: 4-methylbenzenesulfonic acid; prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid prop-2-ynyl ester IUPAC Name: 4-methylbenzenesulfonic acid; prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate Traditional Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid propargyl ester; tosylic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC=C(C1)C(=O)OCC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC=C(C1)C(=O)OCC#C

InChI

InChI=1S/C10H13NO2.C7H8O3S/c1-3-7-13-10(12)9-5-4-6-11(2)8-9;1-6-2-4-7(5-3-6)11(8,9)10/h1,5H,4,6-8H2,2H3;2-5H,1H3,(H,8,9,10)