4-methylbenzenesulfonic acid; methyl 4-phenylpiperidine-4-carboxylate

Systemtic Name: 4-methylbenzenesulfonic acid; methyl 4-phenylpiperidine-4-carboxylate Openeye Name: 4-methylbenzenesulfonic acid; methyl 4-phenylpiperidine-4-carboxylate CAS Name: 4-methylbenzenesulfonic acid; 4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: 4-methylbenzenesulfonic acid; methyl 4-phenylpiperidine-4-carboxylate Traditional Name: 4-phenylisonipecotic acid methyl ester; tosylic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)C1(CCNCC1)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)C1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO2.C7H8O3S/c1-16-12(15)13(7-9-14-10-8-13)11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,14H,7-10H2,1H3;2-5H,1H3,(H,8,9,10)