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

Systemtic Name: but-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: but-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid but-2-ynyl ester IUPAC Name: but-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid but-2-ynyl ester; tosylic acid Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(=O)C1=CCCN(C1)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC#CCOC(=O)C1=CCCN(C1)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H15NO2.C7H8O3S/c1-3-4-8-14-11(13)10-6-5-7-12(2)9-10;1-6-2-4-7(5-3-6)11(8,9)10/h6H,5,7-9H2,1-2H3;2-5H,1H3,(H,8,9,10)