4-methylbenzenesulfonic acid; 4-phenylpiperidine-4-carboxylic acid

Systemtic Name: 4-methylbenzenesulfonic acid; 4-phenylpiperidine-4-carboxylic acid Openeye Name: 4-methylbenzenesulfonic acid; 4-phenylpiperidine-4-carboxylic acid CAS Name: 4-methylbenzenesulfonic acid; 4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 4-methylbenzenesulfonic acid; 4-phenylpiperidine-4-carboxylic acid Traditional Name: 4-phenylisonipecotic acid; tosylic acid Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H15NO2.C7H8O3S/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,13H,6-9H2,(H,14,15);2-5H,1H3,(H,8,9,10)